(3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one

C15H17ClN4O — CID 124616795

IUPAC(3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one
SMILESCn1ccnc1CN1CCNC(=O)[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O/c1-19-8-6-17-13(19)10-20-9-7-18-15(21)14(20)11-4-2-3-5-12(11)16/h2-6,8,14H,7,9-10H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyCHPPZIPLODHQPV-CQSZACIVSA-N
MW304.78 g/mol
LogP1.75
Rot. Bonds3

About (3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one

(3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one (PubChem CID 124616795) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is (3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one
PubChem CID124616795
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name(3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one
SMILESCn1ccnc1CN1CCNC(=O)[C@H]1c1ccccc1Cl
InChIInChI=1S/C15H17ClN4O/c1-19-8-6-17-13(19)10-20-9-7-18-15(21)14(20)11-4-2-3-5-12(11)16/h2-6,8,14H,7,9-10H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyCHPPZIPLODHQPV-CQSZACIVSA-N
XLogP1.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-chlorophenyl)-4-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-2-one
CID 126795033
4-[(5-butyl-1,2,4-oxadiazol-3-yl)methyl]-3-(2-chlorophenyl)piperazin-2-one
CID 126788043
3-(2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazin-2-one
CID 75506314
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
4-butanoyl-3-(2-chlorophenyl)piperazin-2-one
CID 110657325
3-(2-chlorophenyl)-4-propylsulfonylpiperazin-2-one
CID 110657423
3-(2-chlorophenyl)-4-(pyridine-4-carbonyl)piperazin-2-one
CID 75503479
3-(2-chlorophenyl)-4-(3-pyrazol-1-ylpropanoyl)piperazin-2-one
CID 86788537
2-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-N-prop-2-enylacetamide
CID 75503443
(3R)-3-(2-chlorophenyl)-4-(2-methylpyrazole-3-carbonyl)piperazin-2-one
CID 99628590
3-(2-chlorophenyl)-4-(4-methylphenyl)sulfonylpiperazin-2-one
CID 110657427
3-[2-(2-chlorophenyl)-3-oxopiperazin-1-yl]-2-methyl-3-oxopropanoic acid
CID 122066378

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one?
The IUPAC name of (3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one (CID 124616795) is (3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one.
What is the SMILES notation for (3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one?
The canonical SMILES for (3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one is Cn1ccnc1CN1CCNC(=O)[C@H]1c1ccccc1Cl.
What is the InChIKey of (3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one?
The InChIKey is CHPPZIPLODHQPV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-19-8-6-17-13(19)10-20-9-7-18-15(21)14(20)11-4-2-3-5-12(11)16/h2-6,8,14H,7,9-10H2,1H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one?
(3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one has a molecular weight of 304.78 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-chlorophenyl)-4-[(1-methylimidazol-2-yl)methyl]piperazin-2-one is sourced from PubChem (CID 124616795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).