(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide

C19H28N4O4S — CID 9086541

IUPAC(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(C(N)=O)C3)cc2)CC1
InChIInChI=1S/C19H28N4O4S/c1-14-8-11-23(12-9-14)28(26,27)17-6-4-16(5-7-17)21-18(24)15-3-2-10-22(13-15)19(20)25/h4-7,14-15H,2-3,8-13H2,1H3,(H2,20,25)(H,21,24)/t15-/m1/s1
InChIKeyRBBGCOOBFDIBIP-OAHLLOKOSA-N
MW408.52 g/mol
LogP1.84
Rot. Bonds4

About (3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide

(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide (PubChem CID 9086541) has the molecular formula C19H28N4O4S and a molecular weight of 408.52 g/mol. Its IUPAC name is (3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide
PubChem CID9086541
Molecular FormulaC19H28N4O4S
Molecular Weight408.52 g/mol
Exact Mass408.18
IUPAC Name(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(C(N)=O)C3)cc2)CC1
InChIInChI=1S/C19H28N4O4S/c1-14-8-11-23(12-9-14)28(26,27)17-6-4-16(5-7-17)21-18(24)15-3-2-10-22(13-15)19(20)25/h4-7,14-15H,2-3,8-13H2,1H3,(H2,20,25)(H,21,24)/t15-/m1/s1
InChIKeyRBBGCOOBFDIBIP-OAHLLOKOSA-N
XLogP1.84
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide 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

(3S)-3-N-[4-(diethylsulfamoyl)phenyl]piperidine-1,3-dicarboxamide
CID 9074203
N-(4-piperidin-1-ylsulfonylphenyl)-1-propanoylpiperidine-3-carboxamide
CID 55811063
(3R)-3-N-(3-pyrrolidin-1-ylsulfonylphenyl)piperidine-1,3-dicarboxamide
CID 9073712
N-(4-piperidin-1-ylsulfonylphenyl)cyclohexanecarboxamide
CID 1013273
4-[(1-carbamoylpiperidine-3-carbonyl)amino]benzoic acid
CID 43170125
(3R)-1-(4-methylphenyl)sulfonyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100664460
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(benzenesulfonyl)piperidine-3-carboxamide
CID 100659269
(1S)-2-[[4-(4-methylpiperidin-1-yl)sulfonylphenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 46738317
(3S)-N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-chlorophenyl)sulfonylpiperidine-3-carboxamide
CID 100673660
(3R)-1-(4-chlorophenyl)sulfonyl-N-(4-piperidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 100673047
N-[4-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]cyclobutanecarboxamide
CID 7921879
(3R)-1-(dimethylsulfamoyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-3-carboxamide
CID 93487555

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide (CID 9086541) is (3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCN(C(N)=O)C3)cc2)CC1.
What is the InChIKey of (3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide?
The InChIKey is RBBGCOOBFDIBIP-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H28N4O4S/c1-14-8-11-23(12-9-14)28(26,27)17-6-4-16(5-7-17)21-18(24)15-3-2-10-22(13-15)19(20)25/h4-7,14-15H,2-3,8-13H2,1H3,(H2,20,25)(H,21,24)/t15-/m1/s1.
What are the key properties of (3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide has a molecular weight of 408.52 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 9086541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).