N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide

C12H13Cl2N3O2 — CID 944506

IUPACN-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
SMILESO=C(C[C@H]1NCCNC1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3O2/c13-8-2-1-7(5-9(8)14)17-11(18)6-10-12(19)16-4-3-15-10/h1-2,5,10,15H,3-4,6H2,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeyJPTBGIHCKDTFGU-SNVBAGLBSA-N
MW302.16 g/mol
LogP1.41
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide

N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide (PubChem CID 944506) has the molecular formula C12H13Cl2N3O2 and a molecular weight of 302.16 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
PubChem CID944506
Molecular FormulaC12H13Cl2N3O2
Molecular Weight302.16 g/mol
Exact Mass301.04
IUPAC NameN-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
SMILESO=C(C[C@H]1NCCNC1=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H13Cl2N3O2/c13-8-2-1-7(5-9(8)14)17-11(18)6-10-12(19)16-4-3-15-10/h1-2,5,10,15H,3-4,6H2,(H,16,19)(H,17,18)/t10-/m1/s1
InChIKeyJPTBGIHCKDTFGU-SNVBAGLBSA-N
XLogP1.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 7273614
N-(4-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 941045
2-[(2R)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 940556
2-[(2S)-3-oxopiperazin-2-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 6927912
N-(3-chloro-2-methylphenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide
CID 900615
N-[4-(difluoromethoxy)phenyl]-2-(3-oxopiperazin-2-yl)acetamide
CID 2987992
2-(3-oxopiperazin-2-yl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54794685
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
ethyl 4-[[2-(3-oxopiperazin-2-yl)acetyl]amino]benzoate
CID 2956537
2-(3-oxopiperazin-2-yl)-N-[3-[(2-phenoxyacetyl)amino]phenyl]acetamide
CID 54794666
N-(3,4-dichlorophenyl)-2-[(2R)-6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl]acetamide
CID 2242008
N-(3,4-dichlorophenyl)-2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide
CID 2976181

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide (CID 944506) is N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide is O=C(C[C@H]1NCCNC1=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is JPTBGIHCKDTFGU-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13Cl2N3O2/c13-8-2-1-7(5-9(8)14)17-11(18)6-10-12(19)16-4-3-15-10/h1-2,5,10,15H,3-4,6H2,(H,16,19)(H,17,18)/t10-/m1/s1.
What are the key properties of N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 302.16 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(2R)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 944506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).