(2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide

C19H27N3O2S — CID 95714212

IUPAC(2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c1
InChIInChI=1S/C19H27N3O2S/c1-25-17-8-4-6-15(14-17)20-19(24)22-12-3-2-7-16(22)10-13-21-11-5-9-18(21)23/h4,6,8,14,16H,2-3,5,7,9-13H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyVNOWKALSERQEPA-MRXNPFEDSA-N
MW361.51 g/mol
LogP3.81
Rot. Bonds5

About (2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide

(2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide (PubChem CID 95714212) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is (2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
PubChem CID95714212
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name(2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
SMILESCSc1cccc(NC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c1
InChIInChI=1S/C19H27N3O2S/c1-25-17-8-4-6-15(14-17)20-19(24)22-12-3-2-7-16(22)10-13-21-11-5-9-18(21)23/h4,6,8,14,16H,2-3,5,7,9-13H2,1H3,(H,20,24)/t16-/m1/s1
InChIKeyVNOWKALSERQEPA-MRXNPFEDSA-N
XLogP3.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-methoxyphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95708222
2-[1-[(3-methylsulfanylphenyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61181332
2-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 56914578
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197
N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 56887203
N-[2-(4-fluorophenyl)ethyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 56890665
N-(3-acetylphenyl)-2-propylpiperidine-1-carboxamide
CID 83046098
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70741060
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
CID 83055508

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of (2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide (CID 95714212) is (2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide is CSc1cccc(NC(=O)N2CCCC[C@@H]2CCN2CCCC2=O)c1.
What is the InChIKey of (2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is VNOWKALSERQEPA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H27N3O2S/c1-25-17-8-4-6-15(14-17)20-19(24)22-12-3-2-7-16(22)10-13-21-11-5-9-18(21)23/h4,6,8,14,16H,2-3,5,7,9-13H2,1H3,(H,20,24)/t16-/m1/s1.
What are the key properties of (2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide?
(2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 361.51 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methylsulfanylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95714212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).