1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone

C22H23N3O — CID 110725800

IUPAC1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C22H23N3O/c26-22(25-15-11-19(12-16-25)21-23-13-14-24-21)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,13-14,19-20H,11-12,15-16H2,(H,23,24)
InChIKeyTWLBCDXROHBAFJ-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.95
Rot. Bonds4

About 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone (PubChem CID 110725800) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone
PubChem CID110725800
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C22H23N3O/c26-22(25-15-11-19(12-16-25)21-23-13-14-24-21)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,13-14,19-20H,11-12,15-16H2,(H,23,24)
InChIKeyTWLBCDXROHBAFJ-UHFFFAOYSA-N
XLogP3.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-methylbutan-1-one
CID 110481474
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
(2S)-2-amino-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-4-methylpentan-1-one
CID 110482490
2-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxo-N-(1-phenyl-2-pyrazol-1-ylethyl)acetamide
CID 166202372
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
2,2-diphenyl-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 2910235
(2R)-2-amino-3-(4-chlorophenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 70731117
5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 110482691
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830
(E)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]but-2-en-1-one
CID 110470223
N-[1-(2,2-diphenylacetyl)piperidin-4-yl]pyridine-4-carboxamide
CID 108556851
(3-bromophenyl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 110725789

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone (CID 110725800) is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone?
The InChIKey is TWLBCDXROHBAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c26-22(25-15-11-19(12-16-25)21-23-13-14-24-21)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,13-14,19-20H,11-12,15-16H2,(H,23,24).
What are the key properties of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone?
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone has a molecular weight of 345.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 110725800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).