(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone

C36H37N3O2 — CID 126069161

IUPAC(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C36H37N3O2/c40-35(32-18-16-29(17-19-32)28-10-4-1-5-11-28)38-22-20-33(21-23-38)36(41)39-26-24-37(25-27-39)34(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19,33-34H,20-27H2
InChIKeyARBAKPDITXGZHD-UHFFFAOYSA-N
MW543.71 g/mol
LogP6.14
Rot. Bonds6

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

(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone (PubChem CID 126069161) has the molecular formula C36H37N3O2 and a molecular weight of 543.71 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone
PubChem CID126069161
Molecular FormulaC36H37N3O2
Molecular Weight543.71 g/mol
Exact Mass543.29
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1
InChIInChI=1S/C36H37N3O2/c40-35(32-18-16-29(17-19-32)28-10-4-1-5-11-28)38-22-20-33(21-23-38)36(41)39-26-24-37(25-27-39)34(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19,33-34H,20-27H2
InChIKeyARBAKPDITXGZHD-UHFFFAOYSA-N
XLogP6.14
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.71
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-benzhydrylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 34292601
4-(4-benzhydrylpiperazine-1-carbonyl)-N-hydroxybenzamide
CID 10158784
(4-ethylpiperazin-1-yl)-[1-[1-(4-phenylbenzoyl)piperidin-4-yl]piperidin-4-yl]methanone
CID 42881412
[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 92767617
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
(4-benzhydrylpiperazin-1-yl)-[6-(cyclopropylamino)-3-pyridinyl]methanone
CID 60582399
(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile
CID 51556240
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
N-[4-(4-benzhydrylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2972888
(4-benzhydrylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 1033393
(4-benzhydrylpiperazin-1-yl)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methanone
CID 2903813
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
CID 19430232

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone (CID 126069161) is (4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone?
The InChIKey is ARBAKPDITXGZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O2/c40-35(32-18-16-29(17-19-32)28-10-4-1-5-11-28)38-22-20-33(21-23-38)36(41)39-26-24-37(25-27-39)34(30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-19,33-34H,20-27H2.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone?
(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone has a molecular weight of 543.71 g/mol, XLogP of 6.14, 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-(4-phenylbenzoyl)piperidin-4-yl]methanone is sourced from PubChem (CID 126069161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).