4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide

C16H21N3O3 — CID 110257743

IUPAC4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(C)=O)CCN1C(=O)Cc1ccccc1
InChIInChI=1S/C16H21N3O3/c1-12(20)18-8-9-19(14(11-18)16(22)17-2)15(21)10-13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3,(H,17,22)
InChIKeyDTXBJQAHTOIQPM-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.03
Rot. Bonds3

About 4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide

4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide (PubChem CID 110257743) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide
PubChem CID110257743
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(C)=O)CCN1C(=O)Cc1ccccc1
InChIInChI=1S/C16H21N3O3/c1-12(20)18-8-9-19(14(11-18)16(22)17-2)15(21)10-13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3,(H,17,22)
InChIKeyDTXBJQAHTOIQPM-UHFFFAOYSA-N
XLogP0.03
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 95826147
1-acetyl-N-methyl-4-(2-phenylethyl)piperazine-2-carboxamide
CID 110086145
1-[(2R)-4-acetyl-2-phenylpiperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 124964959
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156
(2S)-4-acetyl-1-[(2-fluorophenyl)methyl]-N-methylpiperazine-2-carboxamide
CID 124946093
N-[2-[2-(methylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 56533945
(2S)-4-acetyl-1-[2-(4-fluorophenyl)acetyl]-N,N-dimethylpiperazine-2-carboxamide
CID 125003622
(2S)-4-benzyl-N-methyl-1-(2-methylpropanoyl)piperazine-2-carboxamide
CID 125020372
(2S)-1-acetyl-4-[3-(1H-benzimidazol-2-yl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 125008235
(2R)-N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 95839396
N-methyl-4-(2-phenylacetyl)morpholine-2-carboxamide
CID 110268197
(2S)-4-acetyl-1-[2-(2-fluorophenyl)acetyl]piperazine-2-carboxamide
CID 95811272

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide?
The IUPAC name of 4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide (CID 110257743) is 4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide?
The canonical SMILES for 4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide is CNC(=O)C1CN(C(C)=O)CCN1C(=O)Cc1ccccc1.
What is the InChIKey of 4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide?
The InChIKey is DTXBJQAHTOIQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-12(20)18-8-9-19(14(11-18)16(22)17-2)15(21)10-13-6-4-3-5-7-13/h3-7,14H,8-11H2,1-2H3,(H,17,22).
What are the key properties of 4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide?
4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 110257743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).