4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

C17H21N3O2S — CID 138379812

IUPAC4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCn1ccc(C2CCN(C(=O)NCc3cccs3)CC2)cc1=O
InChIInChI=1S/C17H21N3O2S/c1-19-7-4-14(11-16(19)21)13-5-8-20(9-6-13)17(22)18-12-15-3-2-10-23-15/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3,(H,18,22)
InChIKeyPECLGFJQIYYWBZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.54
Rot. Bonds3

About 4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide

4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 138379812) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
PubChem CID138379812
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
SMILESCn1ccc(C2CCN(C(=O)NCc3cccs3)CC2)cc1=O
InChIInChI=1S/C17H21N3O2S/c1-19-7-4-14(11-16(19)21)13-5-8-20(9-6-13)17(22)18-12-15-3-2-10-23-15/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3,(H,18,22)
InChIKeyPECLGFJQIYYWBZ-UHFFFAOYSA-N
XLogP2.54
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-phenyl-N-(thiophen-2-ylmethyl)pyrrolidine-1-carboxamide
CID 51895132
4-(1-methylimidazol-2-yl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 121152261
ethyl 1-(thiophen-2-ylmethylcarbamoyl)piperidine-4-carboxylate
CID 47125519
4-[[(2S)-2,4-dimethylpiperazin-1-yl]methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 97039665
N-(thiophen-2-ylmethyl)-4-(triazol-2-yl)piperidine-1-carboxamide
CID 121165125
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 94172075
3-(hydroxymethyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 134056824
1-methyl-4-[1-(3-pyrrolidin-1-ylbutanoyl)piperidin-4-yl]pyridin-2-one
CID 138382325
4-(2-cyclopropyl-2-hydroxyethyl)-N-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 71783426
4-[1-(thiophen-2-ylmethylcarbamoyl)piperidin-3-yl]benzoic acid
CID 72899575
4-[(2-propan-2-ylimidazol-1-yl)methyl]-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 71781115
(4aS,8aR)-1-butyl-2-oxo-N-(thiophen-2-ylmethyl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridine-6-carboxamide
CID 56909036

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide (CID 138379812) is 4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is Cn1ccc(C2CCN(C(=O)NCc3cccs3)CC2)cc1=O.
What is the InChIKey of 4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is PECLGFJQIYYWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-19-7-4-14(11-16(19)21)13-5-8-20(9-6-13)17(22)18-12-15-3-2-10-23-15/h2-4,7,10-11,13H,5-6,8-9,12H2,1H3,(H,18,22).
What are the key properties of 4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide?
4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxo-4-pyridinyl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 138379812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).