1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one

C17H22ClN3O2 — CID 72921513

IUPAC1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CC(=O)N2CCCC(c3ccc(Cl)cc3)C2)C1=O
InChIInChI=1S/C17H22ClN3O2/c1-19-9-10-21(17(19)23)12-16(22)20-8-2-3-14(11-20)13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3
InChIKeyKQNMSVFFMCHTIU-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.41
Rot. Bonds3

About 1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one

1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one (PubChem CID 72921513) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is 1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one
PubChem CID72921513
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC Name1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(CC(=O)N2CCCC(c3ccc(Cl)cc3)C2)C1=O
InChIInChI=1S/C17H22ClN3O2/c1-19-9-10-21(17(19)23)12-16(22)20-8-2-3-14(11-20)13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3
InChIKeyKQNMSVFFMCHTIU-UHFFFAOYSA-N
XLogP2.41
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-[2-oxo-2-[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethyl]imidazolidin-2-one
CID 126438932
1-[3-(4-chlorophenyl)piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 118765182
2-amino-1-[3-(4-chlorophenyl)pyrrolidin-1-yl]ethanone
CID 83541941
1-methyl-3-[2-[3-(methylaminomethyl)piperidin-1-yl]-2-oxoethyl]imidazolidin-2-one;hydrochloride
CID 154907077
1-[3-(4-chlorophenyl)piperidin-1-yl]-3-(4-hydroxyphenyl)propan-1-one
CID 118779777
1-[3-(4-chlorophenyl)azepan-1-yl]-2-cyclohexylethanone
CID 121146455
7-[2-[3-(4-chlorophenyl)azepan-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 121146596
2-[3-(4-chlorophenyl)piperidin-1-yl]acetic acid
CID 131892982
4-(4-chlorophenyl)-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 23039534
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-phenylphenyl)ethanone
CID 121146584
1-[3-(4-chlorophenyl)azepan-1-yl]-2-thiophen-3-ylethanone
CID 121146683
1-[3-(4-chlorophenyl)azepan-1-yl]-2-(4-methylphenoxy)ethanone
CID 121146535

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one (CID 72921513) is 1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one is CN1CCN(CC(=O)N2CCCC(c3ccc(Cl)cc3)C2)C1=O.
What is the InChIKey of 1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one?
The InChIKey is KQNMSVFFMCHTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-19-9-10-21(17(19)23)12-16(22)20-8-2-3-14(11-20)13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3.
What are the key properties of 1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one?
1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one has a molecular weight of 335.83 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-chlorophenyl)piperidin-1-yl]-2-oxoethyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 72921513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).