bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone

C35H34N4O3 — CID 86192907

IUPACbis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C35H34N4O3/c40-33(27-11-15-29(16-12-27)34(41)38-23-19-36(20-24-38)31-7-3-1-4-8-31)28-13-17-30(18-14-28)35(42)39-25-21-37(22-26-39)32-9-5-2-6-10-32/h1-18H,19-26H2
InChIKeyXIGRVCXUXZPXPY-UHFFFAOYSA-N
MW558.68 g/mol
LogP4.84
Rot. Bonds6

About bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone

bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone (PubChem CID 86192907) has the molecular formula C35H34N4O3 and a molecular weight of 558.68 g/mol. Its IUPAC name is bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone.

Molecular Properties

Compound Namebis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
PubChem CID86192907
Molecular FormulaC35H34N4O3
Molecular Weight558.68 g/mol
Exact Mass558.26
IUPAC Namebis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
SMILESO=C(c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C35H34N4O3/c40-33(27-11-15-29(16-12-27)34(41)38-23-19-36(20-24-38)31-7-3-1-4-8-31)28-13-17-30(18-14-28)35(42)39-25-21-37(22-26-39)32-9-5-2-6-10-32/h1-18H,19-26H2
InChIKeyXIGRVCXUXZPXPY-UHFFFAOYSA-N
XLogP4.84
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.68
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-benzoylpiperazin-1-yl)phenyl]-pyridin-4-ylmethanone
CID 146590919
[4-(aziridin-1-yl)phenyl]-phenylmethanone
CID 102156745
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428
4-(4-phenylpiperazine-1-carbonyl)-N-propan-2-ylbenzamide
CID 109043114
(3,5-difluorophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 4806675
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
4-[4-(4-benzylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051572
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
(4-phenylpiperazin-1-yl)-thiophen-3-ylmethanone
CID 110695891
(3-chloro-4-methylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 807436

Frequently Asked Questions

What is the IUPAC name of bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone?
The IUPAC name of bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone (CID 86192907) is bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone.
What is the SMILES notation for bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone?
The canonical SMILES for bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone is O=C(c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone?
The InChIKey is XIGRVCXUXZPXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N4O3/c40-33(27-11-15-29(16-12-27)34(41)38-23-19-36(20-24-38)31-7-3-1-4-8-31)28-13-17-30(18-14-28)35(42)39-25-21-37(22-26-39)32-9-5-2-6-10-32/h1-18H,19-26H2.
What are the key properties of bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone?
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone has a molecular weight of 558.68 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone is sourced from PubChem (CID 86192907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).