4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide

C18H28N4O2 — CID 110086268

IUPAC4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCN(C)c2cccc(C)c2)CCN1C
InChIInChI=1S/C18H28N4O2/c1-14-6-5-7-15(12-14)20(3)9-8-17(23)22-11-10-21(4)16(13-22)18(24)19-2/h5-7,12,16H,8-11,13H2,1-4H3,(H,19,24)
InChIKeyQYGPTSAZAJGION-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.71
Rot. Bonds5

About 4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide

4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide (PubChem CID 110086268) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide
PubChem CID110086268
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide
SMILESCNC(=O)C1CN(C(=O)CCN(C)c2cccc(C)c2)CCN1C
InChIInChI=1S/C18H28N4O2/c1-14-6-5-7-15(12-14)20(3)9-8-17(23)22-11-10-21(4)16(13-22)18(24)19-2/h5-7,12,16H,8-11,13H2,1-4H3,(H,19,24)
InChIKeyQYGPTSAZAJGION-UHFFFAOYSA-N
XLogP0.71
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(N,3-dimethylanilino)propanoyl]-N,4-dimethylpiperazine-2-carboxamide
CID 175658372
4-[2-[3-(dimethylamino)phenoxy]acetyl]-N,1-dimethylpiperazine-2-carboxamide
CID 110086228
(2R)-N-methyl-4-[4-(N-methylanilino)butanoyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124948534
(2S)-4-(3-methoxypropanoyl)-N,1-dimethylpiperazine-2-carboxamide
CID 124982198
N,1-dimethyl-4-[3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)propanoyl]piperazine-2-carboxamide
CID 110085995
3-(N-methylanilino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017255
N,1-dimethyl-4-[3-[4-(methylsulfamoyl)phenyl]propanoyl]piperazine-2-carboxamide
CID 110085958
1-(3,4-dimethylpiperazin-1-yl)-3-(3-methylphenyl)propan-1-one
CID 110707634
N-(3-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113141792
7-(cyclopropylmethyl)-2-[(3R)-1-[3-(N,3-dimethylanilino)propanoyl]pyrrolidin-3-yl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 124972672
4-[3-(N-ethyl-3-methylanilino)propanoyl]piperazine-1-carbaldehyde
CID 109017934
ethyl 4-[3-(N-acetyl-3-methylanilino)propanoyl]piperazine-1-carboxylate
CID 113123786

Frequently Asked Questions

What is the IUPAC name of 4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide?
The IUPAC name of 4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide (CID 110086268) is 4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide is CNC(=O)C1CN(C(=O)CCN(C)c2cccc(C)c2)CCN1C.
What is the InChIKey of 4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide?
The InChIKey is QYGPTSAZAJGION-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-14-6-5-7-15(12-14)20(3)9-8-17(23)22-11-10-21(4)16(13-22)18(24)19-2/h5-7,12,16H,8-11,13H2,1-4H3,(H,19,24).
What are the key properties of 4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide?
4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(N,3-dimethylanilino)propanoyl]-N,1-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 110086268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).