[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone

C22H21N3O2 — CID 42454203

IUPAC[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1
InChIInChI=1S/C22H21N3O2/c26-21(18-10-8-17(9-11-18)16-5-2-1-3-6-16)19-7-4-12-25(14-19)22(27)20-13-23-15-24-20/h1-3,5-6,8-11,13,15,19H,4,7,12,14H2,(H,23,24)/t19-/m1/s1
InChIKeyNRLMKLCWNJNRJE-LJQANCHMSA-N
MW359.43 g/mol
LogP3.81
Rot. Bonds4

About [(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone

[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone (PubChem CID 42454203) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is [(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
PubChem CID42454203
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
SMILESO=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1
InChIInChI=1S/C22H21N3O2/c26-21(18-10-8-17(9-11-18)16-5-2-1-3-6-16)19-7-4-12-25(14-19)22(27)20-13-23-15-24-20/h1-3,5-6,8-11,13,15,19H,4,7,12,14H2,(H,23,24)/t19-/m1/s1
InChIKeyNRLMKLCWNJNRJE-LJQANCHMSA-N
XLogP3.81
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenylphenyl)-[(3R)-1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 42356484
5-[(3S)-3-(4-phenoxybenzoyl)piperidine-1-carbonyl]-1H-pyrimidin-6-one
CID 95728552
(4-phenylphenyl)-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]methanone
CID 42306915
1,2-dihydroacenaphthylen-5-yl-[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]methanone
CID 25274443
fluorobenzene;1H-imidazol-5-yl(pyrrolidin-1-yl)methanone
CID 167484753
[1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45209504
[(3R)-1-(2,6-dimethylpyrimidine-4-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 25488367
[1-(1-oxidopyridin-1-ium-3-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone
CID 45205195
1-[(3R)-3-(4-phenylbenzoyl)piperidin-1-yl]but-2-yn-1-one
CID 25485299
(3R)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
CID 25383194
(3S)-N-tert-butyl-3-(4-phenylbenzoyl)piperidine-1-carboxamide
CID 25383197
ethane;1H-imidazol-5-yl(piperidin-1-yl)methanone
CID 142344786

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone (CID 42454203) is [(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone is O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2cnc[nH]2)C1.
What is the InChIKey of [(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone?
The InChIKey is NRLMKLCWNJNRJE-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(18-10-8-17(9-11-18)16-5-2-1-3-6-16)19-7-4-12-25(14-19)22(27)20-13-23-15-24-20/h1-3,5-6,8-11,13,15,19H,4,7,12,14H2,(H,23,24)/t19-/m1/s1.
What are the key properties of [(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone?
[(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone has a molecular weight of 359.43 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-(1H-imidazole-5-carbonyl)piperidin-3-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 42454203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).