[4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone

C27H24N2O2 — CID 168527219

IUPAC[4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCN(c2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C27H24N2O2/c30-27(25-10-5-4-9-24(25)21-7-2-1-3-8-21)29-18-16-28(17-19-29)23-14-12-22(13-15-23)26-11-6-20-31-26/h1-15,20H,16-19H2
InChIKeyPKJYVMLEBIUAIC-UHFFFAOYSA-N
MW408.50 g/mol
LogP5.58
Rot. Bonds4

About [4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone

[4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 168527219) has the molecular formula C27H24N2O2 and a molecular weight of 408.50 g/mol. Its IUPAC name is [4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone
PubChem CID168527219
Molecular FormulaC27H24N2O2
Molecular Weight408.50 g/mol
Exact Mass408.18
IUPAC Name[4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone
SMILESO=C(c1ccccc1-c1ccccc1)N1CCN(c2ccc(-c3ccco3)cc2)CC1
InChIInChI=1S/C27H24N2O2/c30-27(25-10-5-4-9-24(25)21-7-2-1-3-8-21)29-18-16-28(17-19-29)23-14-12-22(13-15-23)26-11-6-20-31-26/h1-15,20H,16-19H2
InChIKeyPKJYVMLEBIUAIC-UHFFFAOYSA-N
XLogP5.58
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.50
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 17234149
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
2-chloro-N'-[4-[4-(2-phenylbenzoyl)piperazin-1-yl]phenyl]ethanimidamide
CID 169368068
2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517823
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
2-(furan-2-yl)-5-(4-methylpiperazin-1-yl)benzoic acid
CID 168527818
azepan-1-yl-[2-[4-(4-phenylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]phenyl]methanone
CID 53122960
[4-(1-hydroxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 111429801
[3-(furan-2-yl)-1-phenylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 18266915
2-[[5-[2-(4-phenylpiperazine-1-carbonyl)phenyl]indol-1-yl]methyl]benzoic acid
CID 70104325
[4-(4-hydroxyphenyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 8779428

Frequently Asked Questions

What is the IUPAC name of [4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone (CID 168527219) is [4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone is O=C(c1ccccc1-c1ccccc1)N1CCN(c2ccc(-c3ccco3)cc2)CC1.
What is the InChIKey of [4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is PKJYVMLEBIUAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O2/c30-27(25-10-5-4-9-24(25)21-7-2-1-3-8-21)29-18-16-28(17-19-29)23-14-12-22(13-15-23)26-11-6-20-31-26/h1-15,20H,16-19H2.
What are the key properties of [4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone?
[4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 408.50 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 168527219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).