N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide

C20H30N4O2 — CID 120995809

IUPACN-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(N2CCNCC2)C1)Cc1ccccc1
InChIInChI=1S/C20H30N4O2/c1-17(25)23(15-18-5-3-2-4-6-18)12-8-20(26)24-11-7-19(16-24)22-13-9-21-10-14-22/h2-6,19,21H,7-16H2,1H3
InChIKeyAFJLAGWVUZEHMZ-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.93
Rot. Bonds6

About N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide

N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide (PubChem CID 120995809) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide
PubChem CID120995809
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide
SMILESCC(=O)N(CCC(=O)N1CCC(N2CCNCC2)C1)Cc1ccccc1
InChIInChI=1S/C20H30N4O2/c1-17(25)23(15-18-5-3-2-4-6-18)12-8-20(26)24-11-7-19(16-24)22-13-9-21-10-14-22/h2-6,19,21H,7-16H2,1H3
InChIKeyAFJLAGWVUZEHMZ-UHFFFAOYSA-N
XLogP0.93
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
CID 119400405
N-benzyl-N-[3-(1,4-diazepan-1-yl)-3-oxopropyl]acetamide
CID 119414492
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
4-methyl-4-phenyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)pentan-1-one
CID 120994951
3-phenyl-1-[4-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 120997056
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-benzyl-N-[3-(2,3-dimethylpiperazin-1-yl)-3-oxopropyl]acetamide;hydrochloride
CID 120571953
N-benzyl-N-[3-[2-(4-ethylphenyl)piperazin-1-yl]-3-oxopropyl]acetamide
CID 120740899
1-methyl-3-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]benzimidazol-2-one;hydrochloride
CID 120995124
2-benzylsulfanyl-1-(3-piperazin-1-ylpyrrolidin-1-yl)propan-1-one
CID 120997771
2-(2-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996651
(1-benzylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996210

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide (CID 120995809) is N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide is CC(=O)N(CCC(=O)N1CCC(N2CCNCC2)C1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide?
The InChIKey is AFJLAGWVUZEHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-17(25)23(15-18-5-3-2-4-6-18)12-8-20(26)24-11-7-19(16-24)22-13-9-21-10-14-22/h2-6,19,21H,7-16H2,1H3.
What are the key properties of N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide?
N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 120995809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).