3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide

C19H28N4O2 — CID 120996709

IUPAC3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1
InChIInChI=1S/C19H28N4O2/c1-2-7-21-18(24)15-4-3-5-16(13-15)19(25)23-10-6-17(14-23)22-11-8-20-9-12-22/h3-5,13,17,20H,2,6-12,14H2,1H3,(H,21,24)
InChIKeyCFMDPZJJHKZWKA-UHFFFAOYSA-N
MW344.46 g/mol
LogP0.95
Rot. Bonds5

About 3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide

3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide (PubChem CID 120996709) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide.

Molecular Properties

Compound Name3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
PubChem CID120996709
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1
InChIInChI=1S/C19H28N4O2/c1-2-7-21-18(24)15-4-3-5-16(13-15)19(25)23-10-6-17(14-23)22-11-8-20-9-12-22/h3-5,13,17,20H,2,6-12,14H2,1H3,(H,21,24)
InChIKeyCFMDPZJJHKZWKA-UHFFFAOYSA-N
XLogP0.95
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995500
N,N-dimethyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120995818
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
(3-ethylsulfonylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995192
3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-N-propylbenzamide;hydrochloride
CID 119483619
3-bromo-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]benzamide
CID 120996845
N-methyl-N-phenyl-3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)benzamide;hydrochloride
CID 120996516
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
(3-anilinophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120997391
N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 120994616
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
CID 119177928
3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050297

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide?
The IUPAC name of 3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide (CID 120996709) is 3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide.
What is the SMILES notation for 3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide?
The canonical SMILES for 3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide is CCCNC(=O)c1cccc(C(=O)N2CCC(N3CCNCC3)C2)c1.
What is the InChIKey of 3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide?
The InChIKey is CFMDPZJJHKZWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-2-7-21-18(24)15-4-3-5-16(13-15)19(25)23-10-6-17(14-23)22-11-8-20-9-12-22/h3-5,13,17,20H,2,6-12,14H2,1H3,(H,21,24).
What are the key properties of 3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide?
3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide has a molecular weight of 344.46 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)-N-propylbenzamide is sourced from PubChem (CID 120996709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).