[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone

C28H24N2O2 — CID 2169062

IUPAC[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C28H24N2O2/c31-27(24-15-13-22(14-16-24)21-7-2-1-3-8-21)29-17-19-30(20-18-29)28(32)26-12-6-10-23-9-4-5-11-25(23)26/h1-16H,17-20H2
InChIKeyRDGDFLHSXIFILF-UHFFFAOYSA-N
MW420.51 g/mol
LogP5.11
Rot. Bonds3

About [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone (PubChem CID 2169062) has the molecular formula C28H24N2O2 and a molecular weight of 420.51 g/mol. Its IUPAC name is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
PubChem CID2169062
Molecular FormulaC28H24N2O2
Molecular Weight420.51 g/mol
Exact Mass420.18
IUPAC Name[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C28H24N2O2/c31-27(24-15-13-22(14-16-24)21-7-2-1-3-8-21)29-17-19-30(20-18-29)28(32)26-12-6-10-23-9-4-5-11-25(23)26/h1-16H,17-20H2
InChIKeyRDGDFLHSXIFILF-UHFFFAOYSA-N
XLogP5.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.51
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 108569250
[4-(dimethylamino)phenyl]-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]methanone
CID 108547222
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 46584805
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
N-[4-[4-(naphthalene-1-carbonyl)piperazine-1-carbonyl]phenyl]pyridine-2-carboxamide
CID 56796102
4-[4-(4-phenylphenyl)piperazine-1-carbonyl]benzoic acid
CID 2051557
N'-(4-phenylbenzoyl)naphthalene-1-carbohydrazide
CID 3127351
(4-phenylphenyl)-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 108533783
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762
4-(4-phenylbenzoyl)piperazine-1-carbaldehyde
CID 950270

Frequently Asked Questions

What is the IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone (CID 2169062) is [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
The InChIKey is RDGDFLHSXIFILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2O2/c31-27(24-15-13-22(14-16-24)21-7-2-1-3-8-21)29-17-19-30(20-18-29)28(32)26-12-6-10-23-9-4-5-11-25(23)26/h1-16H,17-20H2.
What are the key properties of [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone?
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone has a molecular weight of 420.51 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 2169062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).