(2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide

C17H24N4O3 — CID 125026443

IUPAC(2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1C(C)=O
InChIInChI=1S/C17H24N4O3/c1-12(22)21-9-8-20(11-15(21)16(23)18-2)17(24)13-6-5-7-14(10-13)19(3)4/h5-7,10,15H,8-9,11H2,1-4H3,(H,18,23)/t15-/m0/s1
InChIKeyZTVHDOIHBSWKAD-HNNXBMFYSA-N
MW332.40 g/mol
LogP0.17
Rot. Bonds3

About (2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide

(2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide (PubChem CID 125026443) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide
PubChem CID125026443
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1C(C)=O
InChIInChI=1S/C17H24N4O3/c1-12(22)21-9-8-20(11-15(21)16(23)18-2)17(24)13-6-5-7-14(10-13)19(3)4/h5-7,10,15H,8-9,11H2,1-4H3,(H,18,23)/t15-/m0/s1
InChIKeyZTVHDOIHBSWKAD-HNNXBMFYSA-N
XLogP0.17
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide
CID 127244521
(2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide
CID 124977606
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
(3-bromopyrrolidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80677600
methyl 1-[3-(dimethylamino)benzoyl]pyrrolidine-3-carboxylate
CID 47340246
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
[3-(dimethylamino)phenyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584571
methyl (2R)-2-[[(2R)-1-acetyl-4-(3-fluorobenzoyl)piperazine-2-carbonyl]amino]propanoate
CID 163074423
[(3S)-3-(3,4-difluoroanilino)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 26398252
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 95293500

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide (CID 125026443) is (2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CN(C(=O)c2cccc(N(C)C)c2)CCN1C(C)=O.
What is the InChIKey of (2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide?
The InChIKey is ZTVHDOIHBSWKAD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-12(22)21-9-8-20(11-15(21)16(23)18-2)17(24)13-6-5-7-14(10-13)19(3)4/h5-7,10,15H,8-9,11H2,1-4H3,(H,18,23)/t15-/m0/s1.
What are the key properties of (2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide?
(2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-4-[3-(dimethylamino)benzoyl]-N-methylpiperazine-2-carboxamide is sourced from PubChem (CID 125026443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).