(2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide

C16H24N4O2 — CID 124977606

IUPAC(2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)CCN1C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H24N4O2/c1-17-15(21)14-11-19(4)8-9-20(14)16(22)12-6-5-7-13(10-12)18(2)3/h5-7,10,14H,8-9,11H2,1-4H3,(H,17,21)/t14-/m0/s1
InChIKeyLNQULSDBLUNXLW-AWEZNQCLSA-N
MW304.39 g/mol
LogP0.25
Rot. Bonds3

About (2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide

(2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide (PubChem CID 124977606) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide
PubChem CID124977606
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)[C@@H]1CN(C)CCN1C(=O)c1cccc(N(C)C)c1
InChIInChI=1S/C16H24N4O2/c1-17-15(21)14-11-19(4)8-9-20(14)16(22)12-6-5-7-13(10-12)18(2)3/h5-7,10,14H,8-9,11H2,1-4H3,(H,17,21)/t14-/m0/s1
InChIKeyLNQULSDBLUNXLW-AWEZNQCLSA-N
XLogP0.25
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.25
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
1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide
CID 175658372
N,4-dimethyl-1-(1-methylpyrazole-4-carbonyl)piperazine-2-carboxamide
CID 110250175
1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171
(2R)-1-[3-(dimethylamino)benzoyl]piperidine-2-carboxylic acid
CID 79034431
1-(3-aminobenzoyl)-4-methylpiperazine-2-carboxylic acid
CID 142180497
(2S)-1-(2-methoxybenzoyl)-N,4-dimethylpiperazine-2-carboxamide
CID 124948483
3-(dimethylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47375158
1-acetyl-4-[3-(dimethylamino)benzoyl]piperazine-2-carboxamide
CID 127244521
[3-(dimethylamino)phenyl]-(2-methyl-1,3-thiazolidin-3-yl)methanone
CID 122331719
[3-(dimethylamino)phenyl]-(3-hydroxyazetidin-1-yl)methanone
CID 63104909
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide?
The IUPAC name of (2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide (CID 124977606) is (2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for (2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide?
The canonical SMILES for (2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide is CNC(=O)[C@@H]1CN(C)CCN1C(=O)c1cccc(N(C)C)c1.
What is the InChIKey of (2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide?
The InChIKey is LNQULSDBLUNXLW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-17-15(21)14-11-19(4)8-9-20(14)16(22)12-6-5-7-13(10-12)18(2)3/h5-7,10,14H,8-9,11H2,1-4H3,(H,17,21)/t14-/m0/s1.
What are the key properties of (2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide?
(2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[3-(dimethylamino)benzoyl]-N,4-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 124977606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).