1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide

C21H24N2O3S — CID 18137390

IUPAC1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESCS(=O)Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C21H24N2O3S/c1-27(26)15-16-6-5-7-18(14-16)21(25)23-12-10-17(11-13-23)20(24)22-19-8-3-2-4-9-19/h2-9,14,17H,10-13,15H2,1H3,(H,22,24)
InChIKeyYYZQCVPKUCKKKH-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.06
Rot. Bonds5

About 1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide

1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 18137390) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide
PubChem CID18137390
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide
SMILESCS(=O)Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C21H24N2O3S/c1-27(26)15-16-6-5-7-18(14-16)21(25)23-12-10-17(11-13-23)20(24)22-19-8-3-2-4-9-19/h2-9,14,17H,10-13,15H2,1H3,(H,22,24)
InChIKeyYYZQCVPKUCKKKH-UHFFFAOYSA-N
XLogP3.06
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(methylsulfinylmethyl)benzoyl]piperidin-4-yl]-phenylmethanone
CID 18145982
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-[3-(dimethylamino)benzoyl]-N-phenylpiperidine-4-carboxamide
CID 41263290
3-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119219598
methyl 1-[3-(cyclopropanecarbonylamino)benzoyl]piperidine-4-carboxylate
CID 51153861
(4-cyclopentylpiperazin-1-yl)-[3-(methylsulfinylmethyl)phenyl]methanone
CID 134020797
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-(4-ethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006643
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
1-(4-tert-butylbenzoyl)-N-phenylpiperidine-4-carboxamide
CID 113006047
N-[3-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31349274

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide (CID 18137390) is 1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide is CS(=O)Cc1cccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of 1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is YYZQCVPKUCKKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-27(26)15-16-6-5-7-18(14-16)21(25)23-12-10-17(11-13-23)20(24)22-19-8-3-2-4-9-19/h2-9,14,17H,10-13,15H2,1H3,(H,22,24).
What are the key properties of 1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide?
1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 384.50 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylsulfinylmethyl)benzoyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 18137390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).