1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide

C16H22N4O3 — CID 127244521

IUPAC1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1C(N)=O
InChIInChI=1S/C16H22N4O3/c1-11(21)20-8-7-19(10-14(20)15(17)22)16(23)12-5-4-6-13(9-12)18(2)3/h4-6,9,14H,7-8,10H2,1-3H3,(H2,17,22)
InChIKeyZWCBLSXNRWRHDE-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.09
Rot. Bonds3

About 1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide

1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide (PubChem CID 127244521) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide
PubChem CID127244521
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1C(N)=O
InChIInChI=1S/C16H22N4O3/c1-11(21)20-8-7-19(10-14(20)15(17)22)16(23)12-5-4-6-13(9-12)18(2)3/h4-6,9,14H,7-8,10H2,1-3H3,(H2,17,22)
InChIKeyZWCBLSXNRWRHDE-UHFFFAOYSA-N
XLogP-0.09
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide
CID 125026443
(2S)-1-acetyl-4-(pyridine-4-carbonyl)piperazine-2-carboxamide
CID 124948999
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041690
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 63767839

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide?
The IUPAC name of 1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide (CID 127244521) is 1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide.
What is the SMILES notation for 1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide?
The canonical SMILES for 1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide is CC(=O)N1CCN(C(=O)c2cccc(N(C)C)c2)CC1C(N)=O.
What is the InChIKey of 1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide?
The InChIKey is ZWCBLSXNRWRHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11(21)20-8-7-19(10-14(20)15(17)22)16(23)12-5-4-6-13(9-12)18(2)3/h4-6,9,14H,7-8,10H2,1-3H3,(H2,17,22).
What are the key properties of 1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide?
1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide is sourced from PubChem (CID 127244521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).