(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C15H21N3O2S — CID 42595323

IUPAC(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCSCCNC(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C15H21N3O2S/c1-21-9-8-17-15(20)12-5-6-14(19)18(10-12)11-13-4-2-3-7-16-13/h2-4,7,12H,5-6,8-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyOUBZVKBCHGGEQB-LBPRGKRZSA-N
MW307.42 g/mol
LogP1.30
Rot. Bonds6

About (3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide

(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 42595323) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is (3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID42595323
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCSCCNC(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1
InChIInChI=1S/C15H21N3O2S/c1-21-9-8-17-15(20)12-5-6-14(19)18(10-12)11-13-4-2-3-7-16-13/h2-4,7,12H,5-6,8-11H2,1H3,(H,17,20)/t12-/m0/s1
InChIKeyOUBZVKBCHGGEQB-LBPRGKRZSA-N
XLogP1.30
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45169229
(3R)-6-oxo-1-(pyridin-2-ylmethyl)-N-(2-pyridin-3-yloxyethyl)piperidine-3-carboxamide
CID 42199281
methyl 4-[[[(3R)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carbonyl]amino]methyl]benzoate
CID 42099038
6-oxo-1-(2-pyridin-2-ylethyl)-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45212022
(3S)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25288091
1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 45220426
(3R)-N-(3,3-diphenylpropyl)-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 42291904
(3R)-6-oxo-N-(2-propan-2-yloxyethyl)-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97155814
(3S)-6-oxo-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25288040
(3S)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 97141011
(3R)-5-oxo-1-(pyridin-2-ylmethyl)-N-[2-(pyrimidin-2-ylamino)ethyl]pyrrolidine-3-carboxamide
CID 94125432
1-(cyclohexylmethyl)-6-oxo-N-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 45188915

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 42595323) is (3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CSCCNC(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1.
What is the InChIKey of (3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is OUBZVKBCHGGEQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-21-9-8-17-15(20)12-5-6-14(19)18(10-12)11-13-4-2-3-7-16-13/h2-4,7,12H,5-6,8-11H2,1H3,(H,17,20)/t12-/m0/s1.
What are the key properties of (3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
(3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-methylsulfanylethyl)-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42595323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).