butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate

C137H256N22O20 — CID 159093532

IUPACbutyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate
SMILESCCCCCCOC(=O)C1CCN(C2CCN(C)CC2)C1.CCCCOC(=O)C1CCCN(C2CCN(C)CC2)C1.CCCCOC(=O)C1CCN(C2CCN(C)CC2)C1.CCOC(=O)C1CCCN(C2CCN(C)CC2)C1.CN(C)CCCOC(=O)C1CCN(C2CCN(C)CC2)C1.CN(C)CCOC(=O)C1CCN(C2CCN(C)CC2)C1.CN1CCC(N2CCC(C(=O)OCC(=O)N(C)C)C2)CC1.CN1CCC(N2CCC(C(=O)OCCN3CCOCC3)C2)CC1.CN1CCC(N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C17H31N3O3.C17H32N2O2.C16H31N3O2.C16H30N2O2.C15H27N3O3.C15H29N3O2.C15H28N2O2.C14H26N2O2.C12H22N2O2/c1-18-5-3-16(4-6-18)20-7-2-15(14-20)17(21)23-13-10-19-8-11-22-12-9-19;1-3-4-5-6-13-21-17(20)15-7-12-19(14-15)16-8-10-18(2)11-9-16;1-17(2)8-4-12-21-16(20)14-5-11-19(13-14)15-6-9-18(3)10-7-15;1-3-4-12-20-16(19)14-6-5-9-18(13-14)15-7-10-17(2)11-8-15;1-16(2)14(19)11-21-15(20)12-4-9-18(10-12)13-5-7-17(3)8-6-13;1-16(2)10-11-20-15(19)13-4-9-18(12-13)14-5-7-17(3)8-6-14;1-3-4-11-19-15(18)13-5-10-17(12-13)14-6-8-16(2)9-7-14;1-3-18-14(17)12-5-4-8-16(11-12)13-6-9-15(2)10-7-13;1-13-7-4-11(5-8-13)14-6-2-3-10(9-14)12(15)16/h15-16H,2-14H2,1H3;15-16H,3-14H2,1-2H3;14-15H,4-13H2,1-3H3;14-15H,3-13H2,1-2H3;12-13H,4-11H2,1-3H3;13-14H,4-12H2,1-3H3;13-14H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;10-11H,2-9H2,1H3,(H,15,16)
InChIKeyKCJHDOKFDDYPGK-UHFFFAOYSA-N
MW2531.69 g/mol
LogP10.36
Rot. Bonds42

About butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate

butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate (PubChem CID 159093532) has the molecular formula C137H256N22O20 and a molecular weight of 2531.69 g/mol. Its IUPAC name is butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namebutyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate
PubChem CID159093532
Molecular FormulaC137H256N22O20
Molecular Weight2531.69 g/mol
Exact Mass2529.97
IUPAC Namebutyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate
SMILESCCCCCCOC(=O)C1CCN(C2CCN(C)CC2)C1.CCCCOC(=O)C1CCCN(C2CCN(C)CC2)C1.CCCCOC(=O)C1CCN(C2CCN(C)CC2)C1.CCOC(=O)C1CCCN(C2CCN(C)CC2)C1.CN(C)CCCOC(=O)C1CCN(C2CCN(C)CC2)C1.CN(C)CCOC(=O)C1CCN(C2CCN(C)CC2)C1.CN1CCC(N2CCC(C(=O)OCC(=O)N(C)C)C2)CC1.CN1CCC(N2CCC(C(=O)OCCN3CCOCC3)C2)CC1.CN1CCC(N2CCCC(C(=O)O)C2)CC1
InChIInChI=1S/C17H31N3O3.C17H32N2O2.C16H31N3O2.C16H30N2O2.C15H27N3O3.C15H29N3O2.C15H28N2O2.C14H26N2O2.C12H22N2O2/c1-18-5-3-16(4-6-18)20-7-2-15(14-20)17(21)23-13-10-19-8-11-22-12-9-19;1-3-4-5-6-13-21-17(20)15-7-12-19(14-15)16-8-10-18(2)11-9-16;1-17(2)8-4-12-21-16(20)14-5-11-19(13-14)15-6-9-18(3)10-7-15;1-3-4-12-20-16(19)14-6-5-9-18(13-14)15-7-10-17(2)11-8-15;1-16(2)14(19)11-21-15(20)12-4-9-18(10-12)13-5-7-17(3)8-6-13;1-16(2)10-11-20-15(19)13-4-9-18(12-13)14-5-7-17(3)8-6-14;1-3-4-11-19-15(18)13-5-10-17(12-13)14-6-8-16(2)9-7-14;1-3-18-14(17)12-5-4-8-16(11-12)13-6-9-15(2)10-7-13;1-13-7-4-11(5-8-13)14-6-2-3-10(9-14)12(15)16/h15-16H,2-14H2,1H3;15-16H,3-14H2,1-2H3;14-15H,4-13H2,1-3H3;14-15H,3-13H2,1-2H3;12-13H,4-11H2,1-3H3;13-14H,4-12H2,1-3H3;13-14H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;10-11H,2-9H2,1H3,(H,15,16)
InChIKeyKCJHDOKFDDYPGK-UHFFFAOYSA-N
XLogP10.36
TPSA345.28 Ų
H-Bond Donors1
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002531.69
LogP ≤ 510.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The IUPAC name of butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate (CID 159093532) is butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate.
What is the SMILES notation for butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The canonical SMILES for butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate is CCCCCCOC(=O)C1CCN(C2CCN(C)CC2)C1.CCCCOC(=O)C1CCCN(C2CCN(C)CC2)C1.CCCCOC(=O)C1CCN(C2CCN(C)CC2)C1.CCOC(=O)C1CCCN(C2CCN(C)CC2)C1.CN(C)CCCOC(=O)C1CCN(C2CCN(C)CC2)C1.CN(C)CCOC(=O)C1CCN(C2CCN(C)CC2)C1.CN1CCC(N2CCC(C(=O)OCC(=O)N(C)C)C2)CC1.CN1CCC(N2CCC(C(=O)OCCN3CCOCC3)C2)CC1.CN1CCC(N2CCCC(C(=O)O)C2)CC1.
What is the InChIKey of butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate?
The InChIKey is KCJHDOKFDDYPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3.C17H32N2O2.C16H31N3O2.C16H30N2O2.C15H27N3O3.C15H29N3O2.C15H28N2O2.C14H26N2O2.C12H22N2O2/c1-18-5-3-16(4-6-18)20-7-2-15(14-20)17(21)23-13-10-19-8-11-22-12-9-19;1-3-4-5-6-13-21-17(20)15-7-12-19(14-15)16-8-10-18(2)11-9-16;1-17(2)8-4-12-21-16(20)14-5-11-19(13-14)15-6-9-18(3)10-7-15;1-3-4-12-20-16(19)14-6-5-9-18(13-14)15-7-10-17(2)11-8-15;1-16(2)14(19)11-21-15(20)12-4-9-18(10-12)13-5-7-17(3)8-6-13;1-16(2)10-11-20-15(19)13-4-9-18(12-13)14-5-7-17(3)8-6-14;1-3-4-11-19-15(18)13-5-10-17(12-13)14-6-8-16(2)9-7-14;1-3-18-14(17)12-5-4-8-16(11-12)13-6-9-15(2)10-7-13;1-13-7-4-11(5-8-13)14-6-2-3-10(9-14)12(15)16/h15-16H,2-14H2,1H3;15-16H,3-14H2,1-2H3;14-15H,4-13H2,1-3H3;14-15H,3-13H2,1-2H3;12-13H,4-11H2,1-3H3;13-14H,4-12H2,1-3H3;13-14H,3-12H2,1-2H3;12-13H,3-11H2,1-2H3;10-11H,2-9H2,1H3,(H,15,16).
What are the key properties of butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate?
butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate has a molecular weight of 2531.69 g/mol, XLogP of 10.36, 42 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;butyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;2-(dimethylamino)ethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;[2-(dimethylamino)-2-oxoethyl] 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;3-(dimethylamino)propyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;ethyl 1-(1-methylpiperidin-4-yl)piperidine-3-carboxylate;hexyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate;1-(1-methylpiperidin-4-yl)piperidine-3-carboxylic acid;2-morpholin-4-ylethyl 1-(1-methylpiperidin-4-yl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 159093532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).