1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide

C16H29N3O2 — CID 119307388

IUPAC1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)11-14(20)19-9-5-13(6-10-19)18-15(21)16(17)7-3-4-8-16/h12-13H,3-11,17H2,1-2H3,(H,18,21)
InChIKeyIBRLVPWSYXPABS-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.41
Rot. Bonds4

About 1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide

1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide (PubChem CID 119307388) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
PubChem CID119307388
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C16H29N3O2/c1-12(2)11-14(20)19-9-5-13(6-10-19)18-15(21)16(17)7-3-4-8-16/h12-13H,3-11,17H2,1-2H3,(H,18,21)
InChIKeyIBRLVPWSYXPABS-UHFFFAOYSA-N
XLogP1.41
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(2-methylpropyl)piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119841090
1-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 81178645
N-[1-(3-methylbutanoyl)piperidin-4-yl]azetidine-1-carboxamide
CID 122156176
1-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119278564
1-amino-N-(4-propan-2-ylcyclohexyl)cyclopentane-1-carboxamide;hydrochloride
CID 119339847
1-amino-N-(4-propan-2-ylcyclohexyl)cyclohexane-1-carboxamide
CID 119339856
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785
3,3-dimethyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]butanamide
CID 110819637
1-amino-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119853481
N-cyclohexyl-4-(3-methylbutanoyl)piperazine-1-carboxamide
CID 110810633
N-[1-(3-methylbutanoyl)piperidin-4-yl]formamide
CID 130209713
1-(2-methoxyphenyl)-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopropane-1-carboxamide
CID 139000739

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide (CID 119307388) is 1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide is CC(C)CC(=O)N1CCC(NC(=O)C2(N)CCCC2)CC1.
What is the InChIKey of 1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide?
The InChIKey is IBRLVPWSYXPABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-12(2)11-14(20)19-9-5-13(6-10-19)18-15(21)16(17)7-3-4-8-16/h12-13H,3-11,17H2,1-2H3,(H,18,21).
What are the key properties of 1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide?
1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(3-methylbutanoyl)piperidin-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119307388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).