1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one

C18H22ClN3O2 — CID 132970084

IUPAC1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one
SMILESC/C(=C\c1cccc(Cl)c1)C(=O)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C18H22ClN3O2/c1-13(10-14-4-2-5-15(19)11-14)17(23)21-8-3-6-16(12-21)22-9-7-20-18(22)24/h2,4-5,10-11,16H,3,6-9,12H2,1H3,(H,20,24)/b13-10+
InChIKeyXBQCDIITKUIQBY-JLHYYAGUSA-N
MW347.85 g/mol
LogP2.76
Rot. Bonds3

About 1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one

1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one (PubChem CID 132970084) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one
PubChem CID132970084
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one
SMILESC/C(=C\c1cccc(Cl)c1)C(=O)N1CCCC(N2CCNC2=O)C1
InChIInChI=1S/C18H22ClN3O2/c1-13(10-14-4-2-5-15(19)11-14)17(23)21-8-3-6-16(12-21)22-9-7-20-18(22)24/h2,4-5,10-11,16H,3,6-9,12H2,1H3,(H,20,24)/b13-10+
InChIKeyXBQCDIITKUIQBY-JLHYYAGUSA-N
XLogP2.76
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-chloro-4-(methylamino)benzoyl]piperidin-3-yl]imidazolidin-2-one
CID 136560527
1-[(3S)-1-[2-(3-methoxyphenyl)sulfanylacetyl]piperidin-3-yl]imidazolidin-2-one
CID 96533462
tert-butyl 3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxylate
CID 118114407
1-[1-[2-[benzyl(methyl)amino]acetyl]piperidin-3-yl]imidazolidin-2-one
CID 56821742
1-[1-[2-(5-acetyl-2-methoxyphenyl)acetyl]piperidin-3-yl]imidazolidin-2-one
CID 136579529
(3R)-N-(4-fluorophenyl)-3-(2-oxoimidazolidin-1-yl)piperidine-1-carboxamide
CID 94782811
1-[(3R)-1-[(3R)-3-cyclopropylbutanoyl]piperidin-3-yl]imidazolidin-2-one
CID 94216546
1-[1-(3-pyridin-4-ylpropanoyl)piperidin-3-yl]imidazolidin-2-one
CID 56821767
1-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-3-yl]imidazolidin-2-one
CID 136579526
1-[(3S)-1-(3-methyl-1-benzothiophene-2-carbonyl)piperidin-3-yl]imidazolidin-2-one
CID 95585674
1-[1-(2-indol-1-ylacetyl)piperidin-3-yl]imidazolidin-2-one
CID 56821754
1-[(3S)-1-(2-methoxypyridine-3-carbonyl)piperidin-3-yl]imidazolidin-2-one
CID 95591065

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one (CID 132970084) is 1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one is C/C(=C\c1cccc(Cl)c1)C(=O)N1CCCC(N2CCNC2=O)C1.
What is the InChIKey of 1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one?
The InChIKey is XBQCDIITKUIQBY-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-13(10-14-4-2-5-15(19)11-14)17(23)21-8-3-6-16(12-21)22-9-7-20-18(22)24/h2,4-5,10-11,16H,3,6-9,12H2,1H3,(H,20,24)/b13-10+.
What are the key properties of 1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one?
1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one has a molecular weight of 347.85 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(E)-3-(3-chlorophenyl)-2-methylprop-2-enoyl]piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 132970084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).