[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone

C23H23N3O — CID 91767375

IUPAC[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone
SMILESCc1cnccc1N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H23N3O/c1-18-17-24-12-11-22(18)25-13-15-26(16-14-25)23(27)21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3
InChIKeyMHKKPCCOWIGPNI-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.02
Rot. Bonds3

About [4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone

[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 91767375) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is [4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone
PubChem CID91767375
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone
SMILESCc1cnccc1N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1
InChIInChI=1S/C23H23N3O/c1-18-17-24-12-11-22(18)25-13-15-26(16-14-25)23(27)21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3
InChIKeyMHKKPCCOWIGPNI-UHFFFAOYSA-N
XLogP4.02
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 70715380
[4-(3,5-dimethoxyphenyl)piperazin-1-yl]-(4-phenyl-3-pyridinyl)methanone;hydrochloride
CID 11604587
(2-phenylphenyl)-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 126469063
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 70752019
[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 17234149
[4-(4-methoxyphenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 2948850
1-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-2-(2-phenylimidazol-1-yl)ethanone
CID 72925608
[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone;dihydrochloride
CID 154896567
(2-phenylphenyl)-thiomorpholin-4-ylmethanone
CID 47227510
1-(2-methylphenyl)-4-(2-phenylbenzoyl)piperazin-2-one
CID 70760494
5-[6-[4-(3-methyl-4-pyridinyl)piperazine-1-carbonyl]-2-phenylquinolin-3-yl]pentanoic acid
CID 57410664
[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 154887424

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone (CID 91767375) is [4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone is Cc1cnccc1N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1.
What is the InChIKey of [4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is MHKKPCCOWIGPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-18-17-24-12-11-22(18)25-13-15-26(16-14-25)23(27)21-10-6-5-9-20(21)19-7-3-2-4-8-19/h2-12,17H,13-16H2,1H3.
What are the key properties of [4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone?
[4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 357.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-4-pyridinyl)piperazin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 91767375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).