6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide

C15H20N2O2S — CID 107026180

IUPAC6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(S)cc1C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C15H20N2O2S/c1-9-3-6-12(20)7-13(9)15(19)17-8-11(14(16)18)5-4-10(17)2/h3,6-7,10-11,20H,4-5,8H2,1-2H3,(H2,16,18)
InChIKeyIXXVRKVBOMICOH-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.01
Rot. Bonds2

About 6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide

6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide (PubChem CID 107026180) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide
PubChem CID107026180
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(S)cc1C(=O)N1CC(C(N)=O)CCC1C
InChIInChI=1S/C15H20N2O2S/c1-9-3-6-12(20)7-13(9)15(19)17-8-11(14(16)18)5-4-10(17)2/h3,6-7,10-11,20H,4-5,8H2,1-2H3,(H2,16,18)
InChIKeyIXXVRKVBOMICOH-UHFFFAOYSA-N
XLogP2.01
TPSA63.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 60962792
1-(2-fluoro-4-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 79777604
1-(2,4-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892090
1-(2,5-dihydroxybenzoyl)-6-methylpiperidine-3-carboxamide
CID 103892089
(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 95290424
(3S,6R)-1-(2,6-dimethylquinoline-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95585543
1-(4-bromo-3-methylbenzoyl)-6-methylpiperidine-3-carboxamide
CID 115770176
1-(2,5-dichlorothiophene-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 47415559
(3R,6S)-1-(7-fluoro-2-methylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95274650
(2-methyl-5-sulfanylphenyl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 107036373
(2-methyl-5-sulfanylphenyl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 107031826
(2-bromo-5-sulfanylphenyl)-(2,5-dimethylpiperidin-1-yl)methanone
CID 107031486

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of 6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide (CID 107026180) is 6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide is Cc1ccc(S)cc1C(=O)N1CC(C(N)=O)CCC1C.
What is the InChIKey of 6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide?
The InChIKey is IXXVRKVBOMICOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9-3-6-12(20)7-13(9)15(19)17-8-11(14(16)18)5-4-10(17)2/h3,6-7,10-11,20H,4-5,8H2,1-2H3,(H2,16,18).
What are the key properties of 6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide?
6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide has a molecular weight of 292.40 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-methyl-5-sulfanylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 107026180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).