(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone

C22H23N3O — CID 70777670

IUPAC(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
SMILESCc1cccc(C2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)c1
InChIInChI=1S/C22H23N3O/c1-17-4-2-5-19(14-17)20-6-3-12-24(15-20)22(26)18-7-9-21(10-8-18)25-13-11-23-16-25/h2,4-5,7-11,13-14,16,20H,3,6,12,15H2,1H3
InChIKeySNICEDSHEAWPKS-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.20
Rot. Bonds3

About (4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone

(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone (PubChem CID 70777670) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
PubChem CID70777670
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone
SMILESCc1cccc(C2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)c1
InChIInChI=1S/C22H23N3O/c1-17-4-2-5-19(14-17)20-6-3-12-24(15-20)22(26)18-7-9-21(10-8-18)25-13-11-23-16-25/h2,4-5,7-11,13-14,16,20H,3,6,12,15H2,1H3
InChIKeySNICEDSHEAWPKS-UHFFFAOYSA-N
XLogP4.20
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
3-methyl-7-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]quinazolin-4-one
CID 96581445
[(3R)-3-hydroxypyrrolidin-1-yl]-(3-imidazol-1-ylphenyl)methanone
CID 111561042
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97127410
[3-(3-methylphenyl)piperidin-1-yl]-(1-methyl-3-propylpyrazol-5-yl)methanone
CID 70767661
(4-methylphenyl)-[(3S)-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]piperidin-1-yl]methanone
CID 92872433
6-[3-[(3S)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]-1H-pyrazin-2-one
CID 125439162
1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 176578246

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone?
The IUPAC name of (4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone (CID 70777670) is (4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone is Cc1cccc(C2CCCN(C(=O)c3ccc(-n4ccnc4)cc3)C2)c1.
What is the InChIKey of (4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone?
The InChIKey is SNICEDSHEAWPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-17-4-2-5-19(14-17)20-6-3-12-24(15-20)22(26)18-7-9-21(10-8-18)25-13-11-23-16-25/h2,4-5,7-11,13-14,16,20H,3,6,12,15H2,1H3.
What are the key properties of (4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone?
(4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone has a molecular weight of 345.45 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)-[3-(3-methylphenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 70777670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).