(3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

C22H31N3O4S — CID 41062070

IUPAC(3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1
InChIInChI=1S/C22H31N3O4S/c26-21-9-5-15-25(21)19-10-12-20(13-11-19)30(28,29)24-14-4-6-17(16-24)22(27)23-18-7-2-1-3-8-18/h10-13,17-18H,1-9,14-16H2,(H,23,27)/t17-/m1/s1
InChIKeyZPZUJCWJNOJLCP-QGZVFWFLSA-N
MW433.57 g/mol
LogP2.66
Rot. Bonds5

About (3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide

(3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (PubChem CID 41062070) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is (3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
PubChem CID41062070
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name(3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
SMILESO=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1
InChIInChI=1S/C22H31N3O4S/c26-21-9-5-15-25(21)19-10-12-20(13-11-19)30(28,29)24-14-4-6-17(16-24)22(27)23-18-7-2-1-3-8-18/h10-13,17-18H,1-9,14-16H2,(H,23,27)/t17-/m1/s1
InChIKeyZPZUJCWJNOJLCP-QGZVFWFLSA-N
XLogP2.66
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-cycloheptyl-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9268767
(3S)-1-(benzenesulfonyl)-N-cycloheptylpiperidine-3-carboxamide
CID 39898448
(3S)-N-cyclohexyl-N-methyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide
CID 41024792
(3R)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-pyridin-4-ylpiperidine-3-carboxamide
CID 41024996
(3S)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41024969
1-(4-chlorophenyl)sulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-3-carboxamide
CID 24626125
(3S)-1-[4-(azepan-1-ylsulfonyl)phenyl]-N-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 51717969
N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 645701
(3S)-N-cyclohexyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1081603
1-[4-[(3S)-3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]pyrrolidin-2-one
CID 29105012
N-cyclopentyl-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 3153026
(3R)-1-(4-bromophenyl)sulfonyl-N-cyclopropylpiperidine-3-carboxamide
CID 41302436

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide (CID 41062070) is (3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is O=C(NC1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1.
What is the InChIKey of (3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
The InChIKey is ZPZUJCWJNOJLCP-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H31N3O4S/c26-21-9-5-15-25(21)19-10-12-20(13-11-19)30(28,29)24-14-4-6-17(16-24)22(27)23-18-7-2-1-3-8-18/h10-13,17-18H,1-9,14-16H2,(H,23,27)/t17-/m1/s1.
What are the key properties of (3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide?
(3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide has a molecular weight of 433.57 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclohexyl-1-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 41062070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).