N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

C17H24N2O2S — CID 71687695

IUPACN-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCC2CCCC2)C1c1cccs1
InChIInChI=1S/C17H24N2O2S/c1-19-15(20)9-8-13(16(19)14-7-4-10-22-14)17(21)18-11-12-5-2-3-6-12/h4,7,10,12-13,16H,2-3,5-6,8-9,11H2,1H3,(H,18,21)
InChIKeyPQPYFPMAOSLMIT-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.96
Rot. Bonds4

About N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide

N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (PubChem CID 71687695) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
PubChem CID71687695
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
SMILESCN1C(=O)CCC(C(=O)NCC2CCCC2)C1c1cccs1
InChIInChI=1S/C17H24N2O2S/c1-19-15(20)9-8-13(16(19)14-7-4-10-22-14)17(21)18-11-12-5-2-3-6-12/h4,7,10,12-13,16H,2-3,5-6,8-9,11H2,1H3,(H,18,21)
InChIKeyPQPYFPMAOSLMIT-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738303
(2S,3S)-1-methyl-N-(2-methylpropyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738302
(2R,3S)-N-cyclopropyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738837
(2S,3R)-N,N-diethyl-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738826
(2R,3R)-N-(1-ethylpyrazol-3-yl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide
CID 95738812
N-cyclohexyl-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 75538079
(5R,6R)-5-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
CID 124853509
2-(4-methoxyphenyl)-1-methyl-6-oxo-N-(piperidin-3-ylmethyl)piperidine-3-carboxamide;hydrochloride
CID 119464682
(2S,3R)-1-methyl-N-[(2-methylphenyl)methyl]-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
CID 97457005
(5R,6S)-5-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-methyl-6-thiophen-2-ylpiperidin-2-one
CID 96513209
4-[[[(2S,3S)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125151166
(2S,3S)-1-(3-methylbutyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylic acid
CID 95291481

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide (CID 71687695) is N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is CN1C(=O)CCC(C(=O)NCC2CCCC2)C1c1cccs1.
What is the InChIKey of N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
The InChIKey is PQPYFPMAOSLMIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-19-15(20)9-8-13(16(19)14-7-4-10-22-14)17(21)18-11-12-5-2-3-6-12/h4,7,10,12-13,16H,2-3,5-6,8-9,11H2,1H3,(H,18,21).
What are the key properties of N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide?
N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide has a molecular weight of 320.46 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-methyl-6-oxo-2-thiophen-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 71687695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).