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

C30H34ClN3O — CID 2903813

IUPAC(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H34ClN3O/c31-28-14-8-7-13-27(28)23-32-17-15-26(16-18-32)30(35)34-21-19-33(20-22-34)29(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,26,29H,15-23H2
InChIKeyFLODQLLTYFJOMW-UHFFFAOYSA-N
MW488.08 g/mol
LogP5.49
Rot. Bonds6

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

(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone (PubChem CID 2903813) has the molecular formula C30H34ClN3O and a molecular weight of 488.08 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
PubChem CID2903813
Molecular FormulaC30H34ClN3O
Molecular Weight488.08 g/mol
Exact Mass487.24
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C30H34ClN3O/c31-28-14-8-7-13-27(28)23-32-17-15-26(16-18-32)30(35)34-21-19-33(20-22-34)29(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,26,29H,15-23H2
InChIKeyFLODQLLTYFJOMW-UHFFFAOYSA-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)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone with MolForge

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]methanone
CID 100685665
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
[4-(benzenesulfonyl)piperazin-1-yl]-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 45017329
(4-benzhydrylpiperazin-1-yl)-[(3S)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]methanone
CID 93492390
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
(4-benzhydrylpiperazin-1-yl)-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanone
CID 92851226
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
(4-benzylpiperazin-1-yl)-[1-[(2-methylphenyl)methyl]piperidin-4-yl]methanone
CID 45019515
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-(3,3-dimethylpiperidin-1-yl)methanone
CID 45019436
1-[4-[4-[(2,3-dichlorophenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one
CID 86903567
(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone
CID 126069161

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone (CID 2903813) is (4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone is O=C(C1CCN(Cc2ccccc2Cl)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone?
The InChIKey is FLODQLLTYFJOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O/c31-28-14-8-7-13-27(28)23-32-17-15-26(16-18-32)30(35)34-21-19-33(20-22-34)29(24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-14,26,29H,15-23H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone?
(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-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)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 2903813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).