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

C18H26N4O4S — CID 9087013

IUPAC(3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)cc1
InChIInChI=1S/C18H26N4O4S/c1-14-4-6-16(7-5-14)27(25,26)22-11-9-20(10-12-22)17(23)15-3-2-8-21(13-15)18(19)24/h4-7,15H,2-3,8-13H2,1H3,(H2,19,24)/t15-/m1/s1
InChIKeyMAVBAOYHIQIPJK-OAHLLOKOSA-N
MW394.50 g/mol
LogP0.62
Rot. Bonds3

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

(3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide (PubChem CID 9087013) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is (3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
PubChem CID9087013
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name(3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)cc1
InChIInChI=1S/C18H26N4O4S/c1-14-4-6-16(7-5-14)27(25,26)22-11-9-20(10-12-22)17(23)15-3-2-8-21(13-15)18(19)24/h4-7,15H,2-3,8-13H2,1H3,(H2,19,24)/t15-/m1/s1
InChIKeyMAVBAOYHIQIPJK-OAHLLOKOSA-N
XLogP0.62
TPSA104.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-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

[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-[(3R)-1-methylsulfonylpiperidin-3-yl]methanone
CID 51931000
cyclopentyl-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]methanone
CID 38838505
(3R)-3-[4-(3-chlorophenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide
CID 9086298
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9326800
[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 1090398
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 3156708
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 43886524
[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-1-ylmethanone
CID 849899
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 1327862
azepan-1-yl-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1090468
azepan-1-yl-[(3R)-1-(4-bromophenyl)sulfonylpiperidin-3-yl]methanone
CID 41302489

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide (CID 9087013) is (3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide is Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN(C(N)=O)C3)CC2)cc1.
What is the InChIKey of (3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide?
The InChIKey is MAVBAOYHIQIPJK-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N4O4S/c1-14-4-6-16(7-5-14)27(25,26)22-11-9-20(10-12-22)17(23)15-3-2-8-21(13-15)18(19)24/h4-7,15H,2-3,8-13H2,1H3,(H2,19,24)/t15-/m1/s1.
What are the key properties of (3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide?
(3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-methylphenyl)sulfonylpiperazine-1-carbonyl]piperidine-1-carboxamide is sourced from PubChem (CID 9087013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).