4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one

C20H21ClN2O3 — CID 70782108

IUPAC4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(C(=O)C(O)c3ccc(Cl)cc3)CC2=O)c1
InChIInChI=1S/C20H21ClN2O3/c1-14-3-2-4-15(11-14)12-22-9-10-23(13-18(22)24)20(26)19(25)16-5-7-17(21)8-6-16/h2-8,11,19,25H,9-10,12-13H2,1H3
InChIKeyJSJBRSYTHVDQBL-UHFFFAOYSA-N
MW372.85 g/mol
LogP2.55
Rot. Bonds4

About 4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one

4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one (PubChem CID 70782108) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
PubChem CID70782108
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
SMILESCc1cccc(CN2CCN(C(=O)C(O)c3ccc(Cl)cc3)CC2=O)c1
InChIInChI=1S/C20H21ClN2O3/c1-14-3-2-4-15(11-14)12-22-9-10-23(13-18(22)24)20(26)19(25)16-5-7-17(21)8-6-16/h2-8,11,19,25H,9-10,12-13H2,1H3
InChIKeyJSJBRSYTHVDQBL-UHFFFAOYSA-N
XLogP2.55
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-hydroxypropanoyl]-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 95870160
4-(2-hydroxy-2-phenylacetyl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 70714022
1-[(3-methylphenyl)methyl]-4-[(2S)-2-(2-propan-2-ylimidazol-1-yl)propanoyl]piperazin-2-one
CID 97195772
4-[2-amino-2-(4-methylphenyl)acetyl]-1-[(3-fluorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120668862
1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-4-[(3-methylphenyl)methyl]-1,4-diazepan-5-one
CID 42275381
4-(2-amino-2-phenylacetyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119330494
1-[(3-fluorophenyl)methyl]-4-(2-hydroxy-4-methylpentanoyl)piperazin-2-one
CID 70710923
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-1-[(4-chlorophenyl)methyl]piperazin-2-one
CID 119795947
4-(3-amino-2-methylbutanoyl)-1-[(4-chlorophenyl)methyl]piperazin-2-one;hydrochloride
CID 120501277
(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97118518
4-(2-methoxy-4-methyl-1,3-thiazole-5-carbonyl)-1-[(3-methylphenyl)methyl]piperazin-2-one
CID 70781755
1-[(R)-(4-chlorophenyl)-phenylmethyl]-4-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 76956506

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The IUPAC name of 4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one (CID 70782108) is 4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The canonical SMILES for 4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one is Cc1cccc(CN2CCN(C(=O)C(O)c3ccc(Cl)cc3)CC2=O)c1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
The InChIKey is JSJBRSYTHVDQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-14-3-2-4-15(11-14)12-22-9-10-23(13-18(22)24)20(26)19(25)16-5-7-17(21)8-6-16/h2-8,11,19,25H,9-10,12-13H2,1H3.
What are the key properties of 4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one?
4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one has a molecular weight of 372.85 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-2-hydroxyacetyl]-1-[(3-methylphenyl)methyl]piperazin-2-one is sourced from PubChem (CID 70782108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).