N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide

C19H23N3O2S — CID 138382404

IUPACN-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCC(Cc3ccc(=O)[nH]c3)CC2)c1
InChIInChI=1S/C19H23N3O2S/c1-25-17-4-2-3-16(12-17)21-19(24)22-9-7-14(8-10-22)11-15-5-6-18(23)20-13-15/h2-6,12-14H,7-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyCBTHMJQXPIBAPE-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.58
Rot. Bonds4

About N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide

N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 138382404) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
PubChem CID138382404
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCC(Cc3ccc(=O)[nH]c3)CC2)c1
InChIInChI=1S/C19H23N3O2S/c1-25-17-4-2-3-16(12-17)21-19(24)22-9-7-14(8-10-22)11-15-5-6-18(23)20-13-15/h2-6,12-14H,7-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyCBTHMJQXPIBAPE-UHFFFAOYSA-N
XLogP3.58
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzylpiperidin-1-yl)-N-(3-methylsulfanylphenyl)azetidine-1-carboxamide
CID 23140490
4-benzyl-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 3570835
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
4-methyl-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 63123386
(3R)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121226
1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318366
(3S)-1-[(3-methylsulfanylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125642
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide
CID 137343816
N-(3-methylsulfanylphenyl)-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23139938
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
5-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376550
(3S)-3-[methyl(2-phenylethyl)amino]-N-(3-methylsulfanylphenyl)piperidine-1-carboxamide
CID 42456207

Frequently Asked Questions

What is the IUPAC name of N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide (CID 138382404) is N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide is CSc1cccc(NC(=O)N2CCC(Cc3ccc(=O)[nH]c3)CC2)c1.
What is the InChIKey of N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is CBTHMJQXPIBAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-25-17-4-2-3-16(12-17)21-19(24)22-9-7-14(8-10-22)11-15-5-6-18(23)20-13-15/h2-6,12-14H,7-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide?
N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 357.48 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylsulfanylphenyl)-4-[(6-oxo-1H-pyridin-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 138382404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).