(3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide

C17H23ClN4O4S — CID 9086298

IUPAC(3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C17H23ClN4O4S/c18-14-4-1-5-15(11-14)27(25,26)22-9-7-20(8-10-22)16(23)13-3-2-6-21(12-13)17(19)24/h1,4-5,11,13H,2-3,6-10,12H2,(H2,19,24)/t13-/m1/s1
InChIKeyVLQAHSJIXMOXPZ-CYBMUJFWSA-N
MW414.92 g/mol
LogP0.96
Rot. Bonds3

About (3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide

(3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 9086298) has the molecular formula C17H23ClN4O4S and a molecular weight of 414.92 g/mol. Its IUPAC name is (3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
PubChem CID9086298
Molecular FormulaC17H23ClN4O4S
Molecular Weight414.92 g/mol
Exact Mass414.11
IUPAC Name(3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1
InChIInChI=1S/C17H23ClN4O4S/c18-14-4-1-5-15(11-14)27(25,26)22-9-7-20(8-10-22)16(23)13-3-2-6-21(12-13)17(19)24/h1,4-5,11,13H,2-3,6-10,12H2,(H2,19,24)/t13-/m1/s1
InChIKeyVLQAHSJIXMOXPZ-CYBMUJFWSA-N
XLogP0.96
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55555673
(3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
CID 9087013
[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
CID 94117035
(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
CID 9073712
[4-(benzenesulfonyl)piperazin-1-yl]-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 100675172
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
(3S)-1-(3-chlorophenyl)sulfonyl-N'-(cyclopropanecarbonyl)piperidine-3-carbohydrazide
CID 1445981
cyclobutyl-[4-(3-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 110799404
4-(3-chlorophenyl)sulfonyl-N-cyclohexylpiperazine-1-carbothioamide
CID 8745764
cyclopentyl-[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818032
azepan-1-yl-[1-(3-chlorobenzoyl)piperidin-3-yl]methanone
CID 662429
[4-(3-aminophenyl)sulfonylpiperazin-1-yl]-cyclopropylmethanone
CID 61113905

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide (CID 9086298) is (3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide is NC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1.
What is the InChIKey of (3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is VLQAHSJIXMOXPZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23ClN4O4S/c18-14-4-1-5-15(11-14)27(25,26)22-9-7-20(8-10-22)16(23)13-3-2-6-21(12-13)17(19)24/h1,4-5,11,13H,2-3,6-10,12H2,(H2,19,24)/t13-/m1/s1.
What are the key properties of (3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide?
(3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 414.92 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 9086298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).