2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide

C15H16N4O3 — CID 95394317

IUPAC2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H16N4O3/c1-17-13(20)8-12-14(21)18-5-6-19(12)15(22)11-4-2-3-10(7-11)9-16/h2-4,7,12H,5-6,8H2,1H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyQFFBKBHEQMEIDW-GFCCVEGCSA-N
MW300.32 g/mol
LogP-0.37
Rot. Bonds3

About 2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide

2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide (PubChem CID 95394317) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide
PubChem CID95394317
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C#N)c1
InChIInChI=1S/C15H16N4O3/c1-17-13(20)8-12-14(21)18-5-6-19(12)15(22)11-4-2-3-10(7-11)9-16/h2-4,7,12H,5-6,8H2,1H3,(H,17,20)(H,18,21)/t12-/m1/s1
InChIKeyQFFBKBHEQMEIDW-GFCCVEGCSA-N
XLogP-0.37
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethyl-3-oxopiperazine-1-carbonyl)benzonitrile
CID 63600980
2-[1-[3-(2-fluoro-4-hydroxyphenyl)benzoyl]-3-oxopiperazin-2-yl]-N-methylacetamide
CID 121496108
3-(3-oxo-2-propan-2-ylpiperazine-1-carbonyl)benzonitrile
CID 110873324
3-(2-ethyl-3,5-dioxopiperazine-1-carbonyl)benzonitrile
CID 66067733
4-[3-[2-(2-hydroxyethyl)-3-oxopiperazine-1-carbonyl]phenyl]-3-methylbenzonitrile
CID 118770180
N-methyl-2-[1-(2-methylsulfanylbenzoyl)-3-oxopiperazin-2-yl]acetamide
CID 91768233
3-[3-oxo-2-(4-propan-2-ylphenyl)piperazine-1-carbonyl]benzonitrile
CID 110420275
2-phenoxyethyl 2-[3-oxo-1-(3-propoxybenzoyl)piperazin-2-yl]acetate
CID 4960091
propan-2-yl 2-[3-oxo-1-[3-(2-phenoxyethoxy)benzoyl]piperazin-2-yl]acetate
CID 4955022
2-phenoxyethyl 2-[1-(3-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4956556
2-[1-(2,6-dimethylquinoline-4-carbonyl)-3-oxopiperazin-2-yl]-N-methylacetamide
CID 70714121
(3R)-3-ethyl-4-[3-(methoxymethyl)benzoyl]piperazin-2-one
CID 95330414

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide (CID 95394317) is 2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide is CNC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1cccc(C#N)c1.
What is the InChIKey of 2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
The InChIKey is QFFBKBHEQMEIDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-17-13(20)8-12-14(21)18-5-6-19(12)15(22)11-4-2-3-10(7-11)9-16/h2-4,7,12H,5-6,8H2,1H3,(H,17,20)(H,18,21)/t12-/m1/s1.
What are the key properties of 2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide?
2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide has a molecular weight of 300.32 g/mol, XLogP of -0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(3-cyanobenzoyl)-3-oxopiperazin-2-yl]-N-methylacetamide is sourced from PubChem (CID 95394317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).