[1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone

C29H33N3O3S — CID 4112011

IUPAC[1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33N3O3S/c33-29(27-18-10-11-19-32(27)36(34,35)26-16-8-3-9-17-26)31-22-20-30(21-23-31)28(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-9,12-17,27-28H,10-11,18-23H2
InChIKeyVCDIMKJVPAAPAA-UHFFFAOYSA-N
MW503.67 g/mol
LogP4.16
Rot. Bonds6

About [1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone

[1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone (PubChem CID 4112011) has the molecular formula C29H33N3O3S and a molecular weight of 503.67 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone
PubChem CID4112011
Molecular FormulaC29H33N3O3S
Molecular Weight503.67 g/mol
Exact Mass503.22
IUPAC Name[1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone
SMILESO=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33N3O3S/c33-29(27-18-10-11-19-32(27)36(34,35)26-16-8-3-9-17-26)31-22-20-30(21-23-31)28(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-9,12-17,27-28H,10-11,18-23H2
InChIKeyVCDIMKJVPAAPAA-UHFFFAOYSA-N
XLogP4.16
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.67
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone 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

N-[(2S)-1-(4-benzhydrylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 16242636
4-(4-Benzhydrylpiperazine-1-carbonyl)benzenesulfonamide
CID 19838794
Benzamide, N-[1-[4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl]-4-piperidinyl]-N-propyl-
CID 478449
N-[1-[4-[benzenesulfonyl(methyl)amino]-3-phenyl-butyl]-4-piperidyl]-2-phenyl-N-propyl-acetamide
CID 478450
Benzenepropanamide, N-[1-[4-[methyl(phenylsulfonyl)amino]-3-phenylbutyl]-4-piperidinyl]-N-propyl-
CID 478452
[2-(4-Fluoro-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinolin-3-yl]-piperidin-1-yl-methanone
CID 652247
(4-Benzhydrylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 1005542
4-[3-(4-methyl-1-piperazinyl)-3-oxopropyl]-N-(1-phenylethyl)benzenesulfonamide
CID 2954907
[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 2998266
N-[1-[3-(1-benzyl-4-piperidyl)-3-phenyl-propyl]-4-piperidyl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
CID 3011723
3-(Benzenesulfonyl)-9-benzhydryl-3,9-diazaspiro[5.5]undecane
CID 3233544
9-(Benzenesulfonyl)-2-benzhydryl-2,9-diazaspiro[5.5]undecane
CID 3233974

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone (CID 4112011) is [1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone is O=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone?
The InChIKey is VCDIMKJVPAAPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3S/c33-29(27-18-10-11-19-32(27)36(34,35)26-16-8-3-9-17-26)31-22-20-30(21-23-31)28(24-12-4-1-5-13-24)25-14-6-2-7-15-25/h1-9,12-17,27-28H,10-11,18-23H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone?
[1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone has a molecular weight of 503.67 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-2-yl]-(4-benzhydrylpiperazin-1-yl)methanone is sourced from PubChem (CID 4112011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).