(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide

C17H23N3O3 — CID 95826147

IUPAC(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)Cc2ccccc2)[C@@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H23N3O3/c1-13(21)19-9-10-20(15(12-19)17(23)18(2)3)16(22)11-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3/t15-/m1/s1
InChIKeyZVIOIJBGOBHVMI-OAHLLOKOSA-N
MW317.39 g/mol
LogP0.38
Rot. Bonds3

About (2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide

(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide (PubChem CID 95826147) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide
PubChem CID95826147
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)Cc2ccccc2)[C@@H](C(=O)N(C)C)C1
InChIInChI=1S/C17H23N3O3/c1-13(21)19-9-10-20(15(12-19)17(23)18(2)3)16(22)11-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3/t15-/m1/s1
InChIKeyZVIOIJBGOBHVMI-OAHLLOKOSA-N
XLogP0.38
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-acetyl-1-[2-(4-fluorophenyl)acetyl]-N,N-dimethylpiperazine-2-carboxamide
CID 125003622
4-acetyl-N-methyl-1-(2-phenylacetyl)piperazine-2-carboxamide
CID 110257743
4-acetyl-1-[4-(1H-indol-3-yl)butanoyl]-N,N-dimethylpiperazine-2-carboxamide
CID 110086516
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-(2-fluorophenyl)acetyl]piperazine-2-carboxamide
CID 95811272
(2S)-N,N,1-trimethyl-4-(3-phenylpropanoyl)piperazine-2-carboxamide
CID 124992020
1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one
CID 110477513
N,N-dimethyl-1-(3-methyl-5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 86866237
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
(2S)-1-acetyl-4-(2-methoxybenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 124971294
(2S)-1-acetyl-N,N-dimethyl-4-[(2-propan-2-yloxyphenyl)methyl]piperazine-2-carboxamide
CID 124980902

Frequently Asked Questions

What is the IUPAC name of (2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide (CID 95826147) is (2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)Cc2ccccc2)[C@@H](C(=O)N(C)C)C1.
What is the InChIKey of (2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide?
The InChIKey is ZVIOIJBGOBHVMI-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-13(21)19-9-10-20(15(12-19)17(23)18(2)3)16(22)11-14-7-5-4-6-8-14/h4-8,15H,9-12H2,1-3H3/t15-/m1/s1.
What are the key properties of (2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide?
(2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-acetyl-N,N-dimethyl-1-(2-phenylacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 95826147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).