1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one

C17H21N3O — CID 110725809

IUPAC1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C17H21N3O/c21-16(7-6-14-4-2-1-3-5-14)20-12-8-15(9-13-20)17-18-10-11-19-17/h1-5,10-11,15H,6-9,12-13H2,(H,18,19)
InChIKeyYVHVNKNPDFKOAK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.75
Rot. Bonds4

About 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 110725809) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
PubChem CID110725809
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C17H21N3O/c21-16(7-6-14-4-2-1-3-5-14)20-12-8-15(9-13-20)17-18-10-11-19-17/h1-5,10-11,15H,6-9,12-13H2,(H,18,19)
InChIKeyYVHVNKNPDFKOAK-UHFFFAOYSA-N
XLogP2.75
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 95895283
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 110725800
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 72842618
2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881093
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 110725820
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 70707253
1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 6930824
4-[[[4-(1H-imidazol-2-yl)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122019610
1-(5-methyl-1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 82244369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one (CID 110725809) is 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is YVHVNKNPDFKOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-16(7-6-14-4-2-1-3-5-14)20-12-8-15(9-13-20)17-18-10-11-19-17/h1-5,10-11,15H,6-9,12-13H2,(H,18,19).
What are the key properties of 1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one?
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 283.38 g/mol, XLogP of 2.75, 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]-3-phenylpropan-1-one is sourced from PubChem (CID 110725809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).