3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide

C17H23N3O3 — CID 109050297

IUPAC3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C17H23N3O3/c1-3-7-18-16(22)14-5-4-6-15(12-14)17(23)20-10-8-19(9-11-20)13(2)21/h4-6,12H,3,7-11H2,1-2H3,(H,18,22)
InChIKeyOLXBJZPAXPFQHL-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.13
Rot. Bonds4

About 3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide

3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide (PubChem CID 109050297) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
PubChem CID109050297
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C17H23N3O3/c1-3-7-18-16(22)14-5-4-6-15(12-14)17(23)20-10-8-19(9-11-20)13(2)21/h4-6,12H,3,7-11H2,1-2H3,(H,18,22)
InChIKeyOLXBJZPAXPFQHL-UHFFFAOYSA-N
XLogP1.13
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050294
3-(morpholine-4-carbonyl)-N-propylbenzamide
CID 109050289
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
CID 119177928
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 119483619
N-(3-methylbutyl)-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053540
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
CID 120996709
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
N-(3-methoxypropyl)-3-(piperidine-1-carbonyl)benzamide
CID 109051970

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide?
The IUPAC name of 3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide (CID 109050297) is 3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide.
What is the SMILES notation for 3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide?
The canonical SMILES for 3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide is CCCNC(=O)c1cccc(C(=O)N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide?
The InChIKey is OLXBJZPAXPFQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-3-7-18-16(22)14-5-4-6-15(12-14)17(23)20-10-8-19(9-11-20)13(2)21/h4-6,12H,3,7-11H2,1-2H3,(H,18,22).
What are the key properties of 3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide?
3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide has a molecular weight of 317.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide is sourced from PubChem (CID 109050297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).