(2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide

C19H20ClN3O2 — CID 2657012

IUPAC(2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@H](c2ccccc2)N2CCNC(=O)C2)cc1Cl
InChIInChI=1S/C19H20ClN3O2/c1-13-7-8-15(11-16(13)20)22-19(25)18(14-5-3-2-4-6-14)23-10-9-21-17(24)12-23/h2-8,11,18H,9-10,12H2,1H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyCEVHETXVCCFSDM-SFHVURJKSA-N
MW357.84 g/mol
LogP2.76
Rot. Bonds4

About (2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide

(2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide (PubChem CID 2657012) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
PubChem CID2657012
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name(2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@H](c2ccccc2)N2CCNC(=O)C2)cc1Cl
InChIInChI=1S/C19H20ClN3O2/c1-13-7-8-15(11-16(13)20)22-19(25)18(14-5-3-2-4-6-14)23-10-9-21-17(24)12-23/h2-8,11,18H,9-10,12H2,1H3,(H,21,24)(H,22,25)/t18-/m0/s1
InChIKeyCEVHETXVCCFSDM-SFHVURJKSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 42912246
(2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 2657072
(2S)-N-(3-chloro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)-2-phenylacetamide
CID 8896671
(2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide
CID 94537942
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylacetamide
CID 51927903
(2R)-N-(3-chloro-4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30628130
(2S)-N-(3-chloro-4-methylphenyl)-2-[4-[(3R)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-phenylacetamide
CID 30739823
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56540897
3-[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-4-oxophthalazine-1-carboxylic acid
CID 16539148
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-phenylacetamide
CID 2448741
[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-dimethylazanium
CID 2108164
(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 8516323

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide?
The IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide (CID 2657012) is (2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide is Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCNC(=O)C2)cc1Cl.
What is the InChIKey of (2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide?
The InChIKey is CEVHETXVCCFSDM-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13-7-8-15(11-16(13)20)22-19(25)18(14-5-3-2-4-6-14)23-10-9-21-17(24)12-23/h2-8,11,18H,9-10,12H2,1H3,(H,21,24)(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide?
(2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide has a molecular weight of 357.84 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 2657012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).