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

C19H21N3O2 — CID 2657072

IUPAC(2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCNC(=O)C2)cc1
InChIInChI=1S/C19H21N3O2/c1-14-7-9-16(10-8-14)21-19(24)18(15-5-3-2-4-6-15)22-12-11-20-17(23)13-22/h2-10,18H,11-13H2,1H3,(H,20,23)(H,21,24)/t18-/m1/s1
InChIKeyIASYMNIXHJGCJV-GOSISDBHSA-N
MW323.40 g/mol
LogP2.11
Rot. Bonds4

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

(2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide (PubChem CID 2657072) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
PubChem CID2657072
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCNC(=O)C2)cc1
InChIInChI=1S/C19H21N3O2/c1-14-7-9-16(10-8-14)21-19(24)18(15-5-3-2-4-6-15)22-12-11-20-17(23)13-22/h2-10,18H,11-13H2,1H3,(H,20,23)(H,21,24)/t18-/m1/s1
InChIKeyIASYMNIXHJGCJV-GOSISDBHSA-N
XLogP2.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-chloro-4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 2657012
N-(3-chloro-4-methoxyphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide
CID 42912246
(2S)-2-(5-oxo-1,4-diazepan-1-yl)-N,2-diphenylacetamide
CID 94537942
N-(4-methylphenyl)-2-phenyl-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetamide
CID 17459059
(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 30126358
(3S)-1-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]piperidine-3-carboxamide
CID 9304552
(2S)-N-(4-methylphenyl)-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylacetamide
CID 30735407
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(3-oxopiperazin-1-yl)propanamide
CID 17423025
(2R)-N-(4-cyanophenyl)-2-(3-oxopiperazin-1-yl)propanamide
CID 2657138
(2S)-2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 9398852
2-[4-(diethylsulfamoyl)piperazin-1-yl]-N-(4-methylphenyl)-2-phenylacetamide
CID 16597867
1-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-N-[(2R)-3-methylbutan-2-yl]piperidine-4-carboxamide
CID 52538543

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide (CID 2657072) is (2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide is Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCNC(=O)C2)cc1.
What is the InChIKey of (2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide?
The InChIKey is IASYMNIXHJGCJV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14-7-9-16(10-8-14)21-19(24)18(15-5-3-2-4-6-15)22-12-11-20-17(23)13-22/h2-10,18H,11-13H2,1H3,(H,20,23)(H,21,24)/t18-/m1/s1.
What are the key properties of (2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide?
(2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide has a molecular weight of 323.40 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylphenyl)-2-(3-oxopiperazin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 2657072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).