1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide

C16H28N2O3 — CID 111471288

IUPAC1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCC2CCCC2O)CC1
InChIInChI=1S/C16H28N2O3/c1-2-4-15(20)18-9-7-12(8-10-18)16(21)17-11-13-5-3-6-14(13)19/h12-14,19H,2-11H2,1H3,(H,17,21)
InChIKeyGGBXGEHRBNRYPK-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.30
Rot. Bonds5

About 1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide

1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide (PubChem CID 111471288) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide
PubChem CID111471288
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide
SMILESCCCC(=O)N1CCC(C(=O)NCC2CCCC2O)CC1
InChIInChI=1S/C16H28N2O3/c1-2-4-15(20)18-9-7-12(8-10-18)16(21)17-11-13-5-3-6-14(13)19/h12-14,19H,2-11H2,1H3,(H,17,21)
InChIKeyGGBXGEHRBNRYPK-UHFFFAOYSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-hydroxycyclohexyl)methyl]cyclopentanecarboxamide
CID 64928899
1-butanoyl-N-(3-hydroxypropyl)piperidine-4-carboxamide
CID 61059999
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120947710
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
4-butyl-N-[(2-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 64912183
ethane;1-pyrrolidin-1-ylbutan-1-one
CID 142223486
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
1-butanoyl-N-[2-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 113005002
4-[2-[(1-butanoylpiperidine-4-carbonyl)amino]ethyl]benzoic acid
CID 71874985
1-butanoyl-N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 42878774
N-butyl-1-(4-hydroxybutanoyl)piperidine-4-carboxamide
CID 79205196
N-[(2-hydroxycyclopentyl)methyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 111464083

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide (CID 111471288) is 1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide is CCCC(=O)N1CCC(C(=O)NCC2CCCC2O)CC1.
What is the InChIKey of 1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide?
The InChIKey is GGBXGEHRBNRYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-2-4-15(20)18-9-7-12(8-10-18)16(21)17-11-13-5-3-6-14(13)19/h12-14,19H,2-11H2,1H3,(H,17,21).
What are the key properties of 1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide?
1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 111471288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).