(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone

C30H34ClN3O — CID 92851226

IUPAC(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H34ClN3O/c31-28-15-13-24(14-16-28)22-32-17-7-12-27(23-32)30(35)34-20-18-33(19-21-34)29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-11,13-16,27,29H,7,12,17-23H2/t27-/m1/s1
InChIKeyMDJLKVNWJIANTI-HHHXNRCGSA-N
MW488.08 g/mol
LogP5.49
Rot. Bonds6

About (4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone

(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone (PubChem CID 92851226) has the molecular formula C30H34ClN3O and a molecular weight of 488.08 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone
PubChem CID92851226
Molecular FormulaC30H34ClN3O
Molecular Weight488.08 g/mol
Exact Mass487.24
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone
SMILESO=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H34ClN3O/c31-28-15-13-24(14-16-28)22-32-17-7-12-27(23-32)30(35)34-20-18-33(19-21-34)29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-11,13-16,27,29H,7,12,17-23H2/t27-/m1/s1
InChIKeyMDJLKVNWJIANTI-HHHXNRCGSA-N
XLogP5.49
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.08
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-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

(4-benzhydrylpiperazin-1-yl)-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93492390
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920520
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
(4-benzylpiperazin-1-yl)-[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93491661
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 43924118
(3S)-N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 92851206
(1-benzylpiperidin-3-yl)-piperazin-1-ylmethanone
CID 119915515
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-[(1-ethylbenzimidazol-2-yl)methyl]piperidin-3-yl]methanone
CID 124831139
(4-benzhydrylpiperazin-1-yl)-[(2S)-1-benzylpyrrolidin-2-yl]methanone
CID 10225228
(1-benzylpyrrolidin-3-yl)-pyrrolidin-1-ylmethanone
CID 67294243

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone (CID 92851226) is (4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone is O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is MDJLKVNWJIANTI-HHHXNRCGSA-N. The full InChI is InChI=1S/C30H34ClN3O/c31-28-15-13-24(14-16-28)22-32-17-7-12-27(23-32)30(35)34-20-18-33(19-21-34)29(25-8-3-1-4-9-25)26-10-5-2-6-11-26/h1-6,8-11,13-16,27,29H,7,12,17-23H2/t27-/m1/s1.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone?
(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 488.08 g/mol, XLogP of 5.49, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 92851226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).