(3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

C27H32N4O3S — CID 92893329

IUPAC(3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1
InChIInChI=1S/C27H32N4O3S/c1-29(19-21-8-3-2-4-9-21)27(32)23-10-7-15-30(20-23)26-14-11-22-18-24(12-13-25(22)28-26)35(33,34)31-16-5-6-17-31/h2-4,8-9,11-14,18,23H,5-7,10,15-17,19-20H2,1H3/t23-/m1/s1
InChIKeyLHSZAMXQFYCWNN-HSZRJFAPSA-N
MW492.65 g/mol
LogP3.89
Rot. Bonds6

About (3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

(3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide (PubChem CID 92893329) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is (3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
PubChem CID92893329
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC Name(3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1
InChIInChI=1S/C27H32N4O3S/c1-29(19-21-8-3-2-4-9-21)27(32)23-10-7-15-30(20-23)26-14-11-22-18-24(12-13-25(22)28-26)35(33,34)31-16-5-6-17-31/h2-4,8-9,11-14,18,23H,5-7,10,15-17,19-20H2,1H3/t23-/m1/s1
InChIKeyLHSZAMXQFYCWNN-HSZRJFAPSA-N
XLogP3.89
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
(3R)-N-(2-phenylethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893353
N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769456
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
CID 50769435
(3S)-N-(2-methylphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888367
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92867049
2-(4-benzylpiperidin-1-yl)-6-pyrrolidin-1-ylsulfonylquinoline
CID 46283416
(3R)-N-cyclooctyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888286
(3S)-N-(pyridin-2-ylmethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888283
(3S)-N-[(4-fluorophenyl)methyl]-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888309
(3R)-N-[(4-fluorophenyl)methyl]-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888308
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490719

Frequently Asked Questions

What is the IUPAC name of (3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide (CID 92893329) is (3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide is CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(c2ccc3cc(S(=O)(=O)N4CCCC4)ccc3n2)C1.
What is the InChIKey of (3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The InChIKey is LHSZAMXQFYCWNN-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-29(19-21-8-3-2-4-9-21)27(32)23-10-7-15-30(20-23)26-14-11-22-18-24(12-13-25(22)28-26)35(33,34)31-16-5-6-17-31/h2-4,8-9,11-14,18,23H,5-7,10,15-17,19-20H2,1H3/t23-/m1/s1.
What are the key properties of (3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
(3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide has a molecular weight of 492.65 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-benzyl-N-methyl-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 92893329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).