2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one

C22H25N3O2 — CID 72884097

IUPAC2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one
SMILESCn1ccnc1C1CCCN(C(=O)CC2=C(c3ccccc3)CCC2=O)C1
InChIInChI=1S/C22H25N3O2/c1-24-13-11-23-22(24)17-8-5-12-25(15-17)21(27)14-19-18(9-10-20(19)26)16-6-3-2-4-7-16/h2-4,6-7,11,13,17H,5,8-10,12,14-15H2,1H3
InChIKeyKLQAREIPBYEIEA-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.33
Rot. Bonds4

About 2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one

2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one (PubChem CID 72884097) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one.

Molecular Properties

Compound Name2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one
PubChem CID72884097
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one
SMILESCn1ccnc1C1CCCN(C(=O)CC2=C(c3ccccc3)CCC2=O)C1
InChIInChI=1S/C22H25N3O2/c1-24-13-11-23-22(24)17-8-5-12-25(15-17)21(27)14-19-18(9-10-20(19)26)16-6-3-2-4-7-16/h2-4,6-7,11,13,17H,5,8-10,12,14-15H2,1H3
InChIKeyKLQAREIPBYEIEA-UHFFFAOYSA-N
XLogP3.33
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one with MolForge

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Related Compounds

2-(2,3-difluorophenyl)-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70747806
2-(4-methoxyphenyl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96573896
1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-(3-methylsulfanylphenyl)ethanone
CID 96577965
1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 125162266
3-[2-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 96574064
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 125156941
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(1-methyl-4-phenylpiperidin-4-yl)methanone
CID 96576461
2-(3,4-dimethylphenoxy)-1-[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 96575262
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 96573315
2-(4-chlorophenyl)sulfanyl-1-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70756196
2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-1-[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 98371643
[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]-(3-phenoxyphenyl)methanone
CID 96579127

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one?
The IUPAC name of 2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one (CID 72884097) is 2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one.
What is the SMILES notation for 2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one?
The canonical SMILES for 2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one is Cn1ccnc1C1CCCN(C(=O)CC2=C(c3ccccc3)CCC2=O)C1.
What is the InChIKey of 2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one?
The InChIKey is KLQAREIPBYEIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24-13-11-23-22(24)17-8-5-12-25(15-17)21(27)14-19-18(9-10-20(19)26)16-6-3-2-4-7-16/h2-4,6-7,11,13,17H,5,8-10,12,14-15H2,1H3.
What are the key properties of 2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one?
2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-3-phenylcyclopent-2-en-1-one is sourced from PubChem (CID 72884097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).