tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one

C128H250N14O13 — CID 159130358

IUPACtert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(=O)N1CCC(CC(C)C)CC1.CC(=O)N1CCCC(CC(C)(C)C)C1.CC(C)(C)CC1CCCN(C(=O)OC(C)(C)C)C1.CC(C)(C)CC1CCCNC1.CC(C)(C)CC1CCNCC1.CC(C)(C)CN1CCN(C(=O)OC(C)(C)C)CC1=O.CC(C)(C)CN1CCNCC1=O.CC(C)CC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)CC1CCN(C)C1=O.CC(C)CC1CCNC1=O.CC(C)CN1CCCC1.CC(C)CN1CCCC1=O
InChIInChI=1S/C15H29NO2.C14H26N2O3.C14H27NO2.C12H23NO.C11H21NO.2C10H21N.C9H18N2O.C9H17NO.2C8H15NO.C8H17N/c1-14(2,3)10-12-8-7-9-16(11-12)13(17)18-15(4,5)6;1-13(2,3)10-16-8-7-15(9-11(16)17)12(18)19-14(4,5)6;1-11(2)10-12-6-8-15(9-7-12)13(16)17-14(3,4)5;1-10(14)13-7-5-6-11(9-13)8-12(2,3)4;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)7-11-5-4-10-6-8(11)12;1-7(2)6-8-4-5-10(3)9(8)11;1-6(2)5-7-3-4-9-8(7)10;1-7(2)6-9-5-3-4-8(9)10;1-8(2)7-9-5-3-4-6-9/h12H,7-11H2,1-6H3;7-10H2,1-6H3;11-12H,6-10H2,1-5H3;11H,5-9H2,1-4H3;9,11H,4-8H2,1-3H3;2*9,11H,4-8H2,1-3H3;10H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);7H,3-6H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyKGUSPQYSCFODCE-UHFFFAOYSA-N
MW2193.49 g/mol
LogP25.82
Rot. Bonds18

About tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one

tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 159130358) has the molecular formula C128H250N14O13 and a molecular weight of 2193.49 g/mol. Its IUPAC name is tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Nametert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one
PubChem CID159130358
Molecular FormulaC128H250N14O13
Molecular Weight2193.49 g/mol
Exact Mass2191.93
IUPAC Nametert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(=O)N1CCC(CC(C)C)CC1.CC(=O)N1CCCC(CC(C)(C)C)C1.CC(C)(C)CC1CCCN(C(=O)OC(C)(C)C)C1.CC(C)(C)CC1CCCNC1.CC(C)(C)CC1CCNCC1.CC(C)(C)CN1CCN(C(=O)OC(C)(C)C)CC1=O.CC(C)(C)CN1CCNCC1=O.CC(C)CC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)CC1CCN(C)C1=O.CC(C)CC1CCNC1=O.CC(C)CN1CCCC1.CC(C)CN1CCCC1=O
InChIInChI=1S/C15H29NO2.C14H26N2O3.C14H27NO2.C12H23NO.C11H21NO.2C10H21N.C9H18N2O.C9H17NO.2C8H15NO.C8H17N/c1-14(2,3)10-12-8-7-9-16(11-12)13(17)18-15(4,5)6;1-13(2,3)10-16-8-7-15(9-11(16)17)12(18)19-14(4,5)6;1-11(2)10-12-6-8-15(9-7-12)13(16)17-14(3,4)5;1-10(14)13-7-5-6-11(9-13)8-12(2,3)4;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)7-11-5-4-10-6-8(11)12;1-7(2)6-8-4-5-10(3)9(8)11;1-6(2)5-7-3-4-9-8(7)10;1-7(2)6-9-5-3-4-8(9)10;1-8(2)7-9-5-3-4-6-9/h12H,7-11H2,1-6H3;7-10H2,1-6H3;11-12H,6-10H2,1-5H3;11H,5-9H2,1-4H3;9,11H,4-8H2,1-3H3;2*9,11H,4-8H2,1-3H3;10H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);7H,3-6H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyKGUSPQYSCFODCE-UHFFFAOYSA-N
XLogP25.82
TPSA278.91 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002193.49
LogP ≤ 525.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one (CID 159130358) is tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one is CC(=O)N1CCC(CC(C)C)CC1.CC(=O)N1CCCC(CC(C)(C)C)C1.CC(C)(C)CC1CCCN(C(=O)OC(C)(C)C)C1.CC(C)(C)CC1CCCNC1.CC(C)(C)CC1CCNCC1.CC(C)(C)CN1CCN(C(=O)OC(C)(C)C)CC1=O.CC(C)(C)CN1CCNCC1=O.CC(C)CC1CCN(C(=O)OC(C)(C)C)CC1.CC(C)CC1CCN(C)C1=O.CC(C)CC1CCNC1=O.CC(C)CN1CCCC1.CC(C)CN1CCCC1=O.
What is the InChIKey of tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is KGUSPQYSCFODCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2.C14H26N2O3.C14H27NO2.C12H23NO.C11H21NO.2C10H21N.C9H18N2O.C9H17NO.2C8H15NO.C8H17N/c1-14(2,3)10-12-8-7-9-16(11-12)13(17)18-15(4,5)6;1-13(2,3)10-16-8-7-15(9-11(16)17)12(18)19-14(4,5)6;1-11(2)10-12-6-8-15(9-7-12)13(16)17-14(3,4)5;1-10(14)13-7-5-6-11(9-13)8-12(2,3)4;1-9(2)8-11-4-6-12(7-5-11)10(3)13;1-10(2,3)8-9-4-6-11-7-5-9;1-10(2,3)7-9-5-4-6-11-8-9;1-9(2,3)7-11-5-4-10-6-8(11)12;1-7(2)6-8-4-5-10(3)9(8)11;1-6(2)5-7-3-4-9-8(7)10;1-7(2)6-9-5-3-4-8(9)10;1-8(2)7-9-5-3-4-6-9/h12H,7-11H2,1-6H3;7-10H2,1-6H3;11-12H,6-10H2,1-5H3;11H,5-9H2,1-4H3;9,11H,4-8H2,1-3H3;2*9,11H,4-8H2,1-3H3;10H,4-7H2,1-3H3;7-8H,4-6H2,1-3H3;6-7H,3-5H2,1-2H3,(H,9,10);7H,3-6H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one?
tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 2193.49 g/mol, XLogP of 25.82, 18 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,2-dimethylpropyl)-3-oxopiperazine-1-carboxylate;tert-butyl 3-(2,2-dimethylpropyl)piperidine-1-carboxylate;tert-butyl 4-(2-methylpropyl)piperidine-1-carboxylate;1-(2,2-dimethylpropyl)piperazin-2-one;3-(2,2-dimethylpropyl)piperidine;4-(2,2-dimethylpropyl)piperidine;1-[3-(2,2-dimethylpropyl)piperidin-1-yl]ethanone;1-methyl-3-(2-methylpropyl)pyrrolidin-2-one;1-[4-(2-methylpropyl)piperidin-1-yl]ethanone;1-(2-methylpropyl)pyrrolidine;1-(2-methylpropyl)pyrrolidin-2-one;3-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 159130358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).