tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone)

C146H291N13O21 — CID 159644440

IUPACtert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone)
SMILESCC(=O)C1CCCN(CCOC(C)(C)C)C1.CC(=O)C1CCN(CCOC(C)(C)C)CC1.CC(=O)C1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)(C)OCCN1CCCCC1.CC1CCCN(CCOC(C)(C)C)C1.CC1CCCN(CCOC(C)(C)C)C1.CC1CCN(CCOC(C)(C)C)CC1.CCN(CC)C(=O)C1CCCN(CCOC(C)(C)C)C1.CCOC(=O)C1CCCN(CCOC(C)(C)C)C1.CCOC(=O)C1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O3.C16H32N2O2.2C14H27NO3.3C13H25NO2.3C12H25NO.C11H23NO/c1-15(2,3)20-12-11-18-9-7-13(8-10-18)17-14(19)21-16(4,5)6;1-6-18(7-2)15(19)14-9-8-10-17(13-14)11-12-20-16(3,4)5;1-5-17-13(16)12-6-8-15(9-7-12)10-11-18-14(2,3)4;1-5-17-13(16)12-7-6-8-15(11-12)9-10-18-14(2,3)4;2*1-11(15)12-5-7-14(8-6-12)9-10-16-13(2,3)4;1-11(15)12-6-5-7-14(10-12)8-9-16-13(2,3)4;1-11-5-7-13(8-6-11)9-10-14-12(2,3)4;2*1-11-6-5-7-13(10-11)8-9-14-12(2,3)4;1-11(2,3)13-10-9-12-7-5-4-6-8-12/h13H,7-12H2,1-6H3,(H,17,19);14H,6-13H2,1-5H3;2*12H,5-11H2,1-4H3;3*12H,5-10H2,1-4H3;3*11H,5-10H2,1-4H3;4-10H2,1-3H3
InChIKeyMQTUJIVYJBZJGE-UHFFFAOYSA-N
MW2565.00 g/mol
LogP25.52
Rot. Bonds44

About tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone)

tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone) (PubChem CID 159644440) has the molecular formula C146H291N13O21 and a molecular weight of 2565.00 g/mol. Its IUPAC name is tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone).

Molecular Properties

Compound Nametert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone)
PubChem CID159644440
Molecular FormulaC146H291N13O21
Molecular Weight2565.00 g/mol
Exact Mass2563.21
IUPAC Nametert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone)
SMILESCC(=O)C1CCCN(CCOC(C)(C)C)C1.CC(=O)C1CCN(CCOC(C)(C)C)CC1.CC(=O)C1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)(C)OCCN1CCCCC1.CC1CCCN(CCOC(C)(C)C)C1.CC1CCCN(CCOC(C)(C)C)C1.CC1CCN(CCOC(C)(C)C)CC1.CCN(CC)C(=O)C1CCCN(CCOC(C)(C)C)C1.CCOC(=O)C1CCCN(CCOC(C)(C)C)C1.CCOC(=O)C1CCN(CCOC(C)(C)C)CC1
InChIInChI=1S/C16H32N2O3.C16H32N2O2.2C14H27NO3.3C13H25NO2.3C12H25NO.C11H23NO/c1-15(2,3)20-12-11-18-9-7-13(8-10-18)17-14(19)21-16(4,5)6;1-6-18(7-2)15(19)14-9-8-10-17(13-14)11-12-20-16(3,4)5;1-5-17-13(16)12-6-8-15(9-7-12)10-11-18-14(2,3)4;1-5-17-13(16)12-7-6-8-15(11-12)9-10-18-14(2,3)4;2*1-11(15)12-5-7-14(8-6-12)9-10-16-13(2,3)4;1-11(15)12-6-5-7-14(10-12)8-9-16-13(2,3)4;1-11-5-7-13(8-6-11)9-10-14-12(2,3)4;2*1-11-6-5-7-13(10-11)8-9-14-12(2,3)4;1-11(2,3)13-10-9-12-7-5-4-6-8-12/h13H,7-12H2,1-6H3,(H,17,19);14H,6-13H2,1-5H3;2*12H,5-11H2,1-4H3;3*12H,5-10H2,1-4H3;3*11H,5-10H2,1-4H3;4-10H2,1-3H3
InChIKeyMQTUJIVYJBZJGE-UHFFFAOYSA-N
XLogP25.52
TPSA299.62 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds44
Heavy Atoms180
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002565.00
LogP ≤ 525.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

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

Analyze tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone)?
The IUPAC name of tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone) (CID 159644440) is tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone).
What is the SMILES notation for tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone)?
The canonical SMILES for tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone) is CC(=O)C1CCCN(CCOC(C)(C)C)C1.CC(=O)C1CCN(CCOC(C)(C)C)CC1.CC(=O)C1CCN(CCOC(C)(C)C)CC1.CC(C)(C)OCCN1CCC(NC(=O)OC(C)(C)C)CC1.CC(C)(C)OCCN1CCCCC1.CC1CCCN(CCOC(C)(C)C)C1.CC1CCCN(CCOC(C)(C)C)C1.CC1CCN(CCOC(C)(C)C)CC1.CCN(CC)C(=O)C1CCCN(CCOC(C)(C)C)C1.CCOC(=O)C1CCCN(CCOC(C)(C)C)C1.CCOC(=O)C1CCN(CCOC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone)?
The InChIKey is MQTUJIVYJBZJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3.C16H32N2O2.2C14H27NO3.3C13H25NO2.3C12H25NO.C11H23NO/c1-15(2,3)20-12-11-18-9-7-13(8-10-18)17-14(19)21-16(4,5)6;1-6-18(7-2)15(19)14-9-8-10-17(13-14)11-12-20-16(3,4)5;1-5-17-13(16)12-6-8-15(9-7-12)10-11-18-14(2,3)4;1-5-17-13(16)12-7-6-8-15(11-12)9-10-18-14(2,3)4;2*1-11(15)12-5-7-14(8-6-12)9-10-16-13(2,3)4;1-11(15)12-6-5-7-14(10-12)8-9-16-13(2,3)4;1-11-5-7-13(8-6-11)9-10-14-12(2,3)4;2*1-11-6-5-7-13(10-11)8-9-14-12(2,3)4;1-11(2,3)13-10-9-12-7-5-4-6-8-12/h13H,7-12H2,1-6H3,(H,17,19);14H,6-13H2,1-5H3;2*12H,5-11H2,1-4H3;3*12H,5-10H2,1-4H3;3*11H,5-10H2,1-4H3;4-10H2,1-3H3.
What are the key properties of tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone)?
tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone) has a molecular weight of 2565.00 g/mol, XLogP of 25.52, 44 rotatable bonds, 1 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]carbamate;N,N-diethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxamide;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-3-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine-4-carboxylate;bis(3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine);4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine;1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-3-yl]ethanone;bis(1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-yl]ethanone) is sourced from PubChem (CID 159644440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).