(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide

C22H23N3O3S — CID 1455613

IUPAC(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccnc4ccccc34)C2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16-8-10-18(11-9-16)29(27,28)25-14-4-5-17(15-25)22(26)24-21-12-13-23-20-7-3-2-6-19(20)21/h2-3,6-13,17H,4-5,14-15H2,1H3,(H,23,24,26)/t17-/m1/s1
InChIKeyQBDYZOPFHUPBJW-QGZVFWFLSA-N
MW409.51 g/mol
LogP3.58
Rot. Bonds4

About (3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide

(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide (PubChem CID 1455613) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is (3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide
PubChem CID1455613
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccnc4ccccc34)C2)cc1
InChIInChI=1S/C22H23N3O3S/c1-16-8-10-18(11-9-16)29(27,28)25-14-4-5-17(15-25)22(26)24-21-12-13-23-20-7-3-2-6-19(20)21/h2-3,6-13,17H,4-5,14-15H2,1H3,(H,23,24,26)/t17-/m1/s1
InChIKeyQBDYZOPFHUPBJW-QGZVFWFLSA-N
XLogP3.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(benzenesulfonyl)-N-quinolin-5-ylpiperidine-3-carboxamide
CID 41025456
(3R)-1-(4-methylphenyl)sulfonyl-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1078452
(3S)-N-(2-acetamidophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156119
N-(2-aminophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 119422310
(3R)-N-(2-ethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1075960
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3S)-N-(4-chloro-2-pyridinyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156165
(3R)-N-[2-(cyclohexylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 30156380
(3S)-1-(4-fluorophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 7371815
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302252
(3S)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302253
(3R)-N'-(cyclopentanecarbonyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carbohydrazide
CID 9473935

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide (CID 1455613) is (3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccnc4ccccc34)C2)cc1.
What is the InChIKey of (3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide?
The InChIKey is QBDYZOPFHUPBJW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-16-8-10-18(11-9-16)29(27,28)25-14-4-5-17(15-25)22(26)24-21-12-13-23-20-7-3-2-6-19(20)21/h2-3,6-13,17H,4-5,14-15H2,1H3,(H,23,24,26)/t17-/m1/s1.
What are the key properties of (3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide?
(3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methylphenyl)sulfonyl-N-quinolin-4-ylpiperidine-3-carboxamide is sourced from PubChem (CID 1455613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).