4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one

C18H19ClN2O — CID 74239154

IUPAC4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O/c1-13-18(22)20-10-11-21(13)12-14-2-4-15(5-3-14)16-6-8-17(19)9-7-16/h2-9,13H,10-12H2,1H3,(H,20,22)
InChIKeyKUZZUXLNFOJDKA-UHFFFAOYSA-N
MW314.82 g/mol
LogP3.33
Rot. Bonds3

About 4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one

4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one (PubChem CID 74239154) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one
PubChem CID74239154
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1Cc1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O/c1-13-18(22)20-10-11-21(13)12-14-2-4-15(5-3-14)16-6-8-17(19)9-7-16/h2-9,13H,10-12H2,1H3,(H,20,22)
InChIKeyKUZZUXLNFOJDKA-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-4-benzyl-3-methylpiperazin-2-one
CID 129362839
(3S)-4-[(2,4-dichlorophenyl)methyl]-3-methylpiperazin-2-one
CID 52881469
4-[(4-cyclohexylphenyl)methyl]-3-methylpiperazin-2-one
CID 166367359
3-[2-fluoro-5-[(2-methyl-3-oxopiperazin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 77000639
4-[(3,6-dichloro-2-pyridinyl)methyl]-3-methylpiperazin-2-one
CID 63595615
4-[2-(4-aminophenyl)ethyl]-3-methylpiperazin-2-one
CID 63596462
2-[(2S)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-2-yl]acetamide
CID 95727898
4-[(2-amino-6-fluorophenyl)methyl]-3-methylpiperazin-2-one
CID 63597180
1-[(4-chlorophenyl)methyl]imidazolidin-2-one
CID 5076481
2-methoxy-4-[(2-methyl-3-oxopiperazin-1-yl)methyl]benzenecarbothioamide
CID 106788878
4-[(3-acetyl-5-chloro-2-hydroxyphenyl)methyl]-3-methylpiperazin-2-one
CID 63605981
4-(3-aminopropyl)-3-methylpiperazin-2-one
CID 63594919

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one?
The IUPAC name of 4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one (CID 74239154) is 4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one?
The canonical SMILES for 4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one is CC1C(=O)NCCN1Cc1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one?
The InChIKey is KUZZUXLNFOJDKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-13-18(22)20-10-11-21(13)12-14-2-4-15(5-3-14)16-6-8-17(19)9-7-16/h2-9,13H,10-12H2,1H3,(H,20,22).
What are the key properties of 4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one?
4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one has a molecular weight of 314.82 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)phenyl]methyl]-3-methylpiperazin-2-one is sourced from PubChem (CID 74239154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).