(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide

C25H34N4O3S — CID 99953989

IUPAC(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1
InChIInChI=1S/C25H34N4O3S/c1-26(2)33(31,32)29-15-9-14-23(20-29)25(30)28-18-16-27(17-19-28)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,23-24H,9,14-20H2,1-2H3/t23-/m1/s1
InChIKeyHGOVMBQZSHMFFS-HSZRJFAPSA-N
MW470.64 g/mol
LogP2.44
Rot. Bonds6

About (3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide

(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 99953989) has the molecular formula C25H34N4O3S and a molecular weight of 470.64 g/mol. Its IUPAC name is (3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID99953989
Molecular FormulaC25H34N4O3S
Molecular Weight470.64 g/mol
Exact Mass470.24
IUPAC Name(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1
InChIInChI=1S/C25H34N4O3S/c1-26(2)33(31,32)29-15-9-14-23(20-29)25(30)28-18-16-27(17-19-28)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,23-24H,9,14-20H2,1-2H3/t23-/m1/s1
InChIKeyHGOVMBQZSHMFFS-HSZRJFAPSA-N
XLogP2.44
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide 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-benzhydrylpiperazin-1-yl)-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanone
CID 30156942
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]methanone
CID 125062280
(3R)-3-(4-formylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide
CID 94015669
(3S)-N,N-dimethyl-3-(4-methylpiperidine-1-carbonyl)piperidine-1-sulfonamide
CID 94013163
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238
(3S)-3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 92679537
6-[(3R)-3-[4-[(S)-(4-chlorophenyl)-phenylmethyl]piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 92853813
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-3-carboxamide
CID 30379738
1-(dimethylsulfamoyl)-N-phenylpiperidine-3-carboxamide
CID 46770903
(3R)-N-benzyl-1-(dimethylsulfamoyl)piperidine-3-carboxamide
CID 39730085
(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone
CID 92851226
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-(furan-3-carbonyl)piperidin-3-yl]methanone
CID 35552494

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide (CID 99953989) is (3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide is CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1.
What is the InChIKey of (3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is HGOVMBQZSHMFFS-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H34N4O3S/c1-26(2)33(31,32)29-15-9-14-23(20-29)25(30)28-18-16-27(17-19-28)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22/h3-8,10-13,23-24H,9,14-20H2,1-2H3/t23-/m1/s1.
What are the key properties of (3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide?
(3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 470.64 g/mol, XLogP of 2.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-benzhydrylpiperazine-1-carbonyl)-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 99953989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).