[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone

C23H25N3O — CID 95555128

IUPAC[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C23H25N3O/c27-23(21-10-4-9-20(16-21)22-24-13-14-25-22)26-15-5-8-19(17-26)12-11-18-6-2-1-3-7-18/h1-4,6-7,9-10,13-14,16,19H,5,8,11-12,15,17H2,(H,24,25)/t19-/m0/s1
InChIKeyTZKYSKNPOBSRJF-IBGZPJMESA-N
MW359.47 g/mol
LogP4.56
Rot. Bonds5

About [3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone

[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone (PubChem CID 95555128) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is [3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
PubChem CID95555128
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@@H](CCc2ccccc2)C1
InChIInChI=1S/C23H25N3O/c27-23(21-10-4-9-20(16-21)22-24-13-14-25-22)26-15-5-8-19(17-26)12-11-18-6-2-1-3-7-18/h1-4,6-7,9-10,13-14,16,19H,5,8,11-12,15,17H2,(H,24,25)/t19-/m0/s1
InChIKeyTZKYSKNPOBSRJF-IBGZPJMESA-N
XLogP4.56
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
[1-[3-(1H-imidazol-2-yl)benzoyl]piperidin-3-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 45218504
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95717875
[(4R)-4-hydroxy-4-(hydroxymethyl)azepan-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95708619
[3-(4-hydroxyphenyl)-1H-pyrazol-5-yl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 136883827
[2-(1H-imidazol-2-yl)phenyl]-[(3S)-3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 95542984
[2-(1H-imidazol-2-yl)phenyl]-[3-[2-(2-methylphenyl)ethyl]piperidin-1-yl]methanone
CID 56867799
3-[3-[2-(4-fluorophenyl)ethyl]piperidine-1-carbonyl]benzonitrile
CID 56872040
[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 25459016
(3-amino-4-cyclopropylpyrrolidin-1-yl)-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 156606440
[(3R)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)-4-pyridinyl]methanone
CID 95552748
(4-methyl-1,3-thiazol-5-yl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 42245013

Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone (CID 95555128) is [3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone is O=C(c1cccc(-c2ncc[nH]2)c1)N1CCC[C@@H](CCc2ccccc2)C1.
What is the InChIKey of [3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
The InChIKey is TZKYSKNPOBSRJF-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O/c27-23(21-10-4-9-20(16-21)22-24-13-14-25-22)26-15-5-8-19(17-26)12-11-18-6-2-1-3-7-18/h1-4,6-7,9-10,13-14,16,19H,5,8,11-12,15,17H2,(H,24,25)/t19-/m0/s1.
What are the key properties of [3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone?
[3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone has a molecular weight of 359.47 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-2-yl)phenyl]-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95555128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).