1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide

C24H29N3O5S — CID 42924927

IUPAC1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H29N3O5S/c1-32-21-12-11-18(16-22(21)33(30,31)27-14-5-6-15-27)24(29)26-13-7-8-19(17-26)23(28)25-20-9-3-2-4-10-20/h2-4,9-12,16,19H,5-8,13-15,17H2,1H3,(H,25,28)
InChIKeyLFPWCCJLISGNNW-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.97
Rot. Bonds6

About 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide

1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 42924927) has the molecular formula C24H29N3O5S and a molecular weight of 471.58 g/mol. Its IUPAC name is 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide
PubChem CID42924927
Molecular FormulaC24H29N3O5S
Molecular Weight471.58 g/mol
Exact Mass471.18
IUPAC Name1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C24H29N3O5S/c1-32-21-12-11-18(16-22(21)33(30,31)27-14-5-6-15-27)24(29)26-13-7-8-19(17-26)23(28)25-20-9-3-2-4-10-20/h2-4,9-12,16,19H,5-8,13-15,17H2,1H3,(H,25,28)
InChIKeyLFPWCCJLISGNNW-UHFFFAOYSA-N
XLogP2.97
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 2986070
(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660535
[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]-(3-ethylpiperidin-1-yl)methanone
CID 55654809
[3-(1-aminoethyl)piperidin-1-yl]-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 119594892
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396993
1-(3-chloro-4-hydroxybenzoyl)-N-phenylpiperidine-3-carboxamide
CID 18110511
(3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 25493135
1-(5-chloro-2-methoxyphenyl)sulfonyl-N-phenylpiperidine-4-carboxamide
CID 2990214
(3R)-1-(3-chloro-4-methoxyphenyl)sulfonyl-N-phenylpiperidine-3-carboxamide
CID 1457022
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 26586333
(3S)-1-(benzenesulfonyl)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100660568
(3S)-N-(3-acetylphenyl)-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 41302815

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide (CID 42924927) is 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide is COc1ccc(C(=O)N2CCCC(C(=O)Nc3ccccc3)C2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is LFPWCCJLISGNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5S/c1-32-21-12-11-18(16-22(21)33(30,31)27-14-5-6-15-27)24(29)26-13-7-8-19(17-26)23(28)25-20-9-3-2-4-10-20/h2-4,9-12,16,19H,5-8,13-15,17H2,1H3,(H,25,28).
What are the key properties of 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide?
1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42924927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).