(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone

C31H30N2O2 — CID 19430232

IUPAC(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C31H30N2O2/c1-35-29-17-15-24(16-18-29)27-13-8-14-28(23-27)31(34)33-21-19-32(20-22-33)30(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-18,23,30H,19-22H2,1H3
InChIKeyDKZLXMAMBLWYFA-UHFFFAOYSA-N
MW462.59 g/mol
LogP5.91
Rot. Bonds6

About (4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone

(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone (PubChem CID 19430232) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is (4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone.

Molecular Properties

Compound Name(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
PubChem CID19430232
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC Name(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone
SMILESCOc1ccc(-c2cccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)cc1
InChIInChI=1S/C31H30N2O2/c1-35-29-17-15-24(16-18-29)27-13-8-14-28(23-27)31(34)33-21-19-32(20-22-33)30(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-18,23,30H,19-22H2,1H3
InChIKeyDKZLXMAMBLWYFA-UHFFFAOYSA-N
XLogP5.91
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzhydrylpiperazin-1-yl)-[5-(4-methoxyphenyl)-1H-indol-2-yl]methanone
CID 71295856
[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92768612
[4-[(R)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 92769784
(4-benzhydrylpiperazin-1-yl)-naphthalen-2-ylmethanone
CID 1343328
[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 46100556
(4-benzhydrylpiperazin-1-yl)-[2-methoxy-6-(4-methoxyphenyl)-3-pyridinyl]methanone
CID 25097957
(4-benzhydrylpiperazin-1-yl)-(2-hydroxy-4-methoxyphenyl)methanone
CID 29262916
(4-benzhydrylpiperazin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 4273485
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
2-[(E)-1-[4-[3-[4-(4-benzhydrylpiperazine-1-carbonyl)phenoxy]phenyl]phenyl]ethylideneamino]oxyacetic acid
CID 10461788
(3-fluorophenyl)-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]methanone
CID 46100477

Frequently Asked Questions

What is the IUPAC name of (4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone?
The IUPAC name of (4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone (CID 19430232) is (4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone.
What is the SMILES notation for (4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone?
The canonical SMILES for (4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone is COc1ccc(-c2cccc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)cc1.
What is the InChIKey of (4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone?
The InChIKey is DKZLXMAMBLWYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-35-29-17-15-24(16-18-29)27-13-8-14-28(23-27)31(34)33-21-19-32(20-22-33)30(25-9-4-2-5-10-25)26-11-6-3-7-12-26/h2-18,23,30H,19-22H2,1H3.
What are the key properties of (4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone?
(4-benzhydrylpiperazin-1-yl)-[3-(4-methoxyphenyl)phenyl]methanone has a molecular weight of 462.59 g/mol, XLogP of 5.91, 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)-[3-(4-methoxyphenyl)phenyl]methanone is sourced from PubChem (CID 19430232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).