N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide

C16H23N3O2 — CID 119400405

IUPACN-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCNCC1)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-14(20)19(13-15-5-3-2-4-6-15)10-7-16(21)18-11-8-17-9-12-18/h2-6,17H,7-13H2,1H3
InChIKeyLRDIZXKKWAPSED-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.86
Rot. Bonds5

About N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide

N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide (PubChem CID 119400405) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
PubChem CID119400405
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCNCC1)Cc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-14(20)19(13-15-5-3-2-4-6-15)10-7-16(21)18-11-8-17-9-12-18/h2-6,17H,7-13H2,1H3
InChIKeyLRDIZXKKWAPSED-UHFFFAOYSA-N
XLogP0.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[3-(1,4-diazepan-1-yl)-3-oxopropyl]acetamide
CID 119414492
N-benzyl-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 113118231
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
N-benzyl-N-[3-oxo-3-(3-piperazin-1-ylpyrrolidin-1-yl)propyl]acetamide
CID 120995809
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297
N-benzyl-N-[3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-3-oxopropyl]acetamide
CID 86880739
3-[benzyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980299
3-[acetyl(benzyl)amino]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445184
3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981536
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
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide?
The IUPAC name of N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide (CID 119400405) is N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide is CC(=O)N(CCC(=O)N1CCNCC1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide?
The InChIKey is LRDIZXKKWAPSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-14(20)19(13-15-5-3-2-4-6-15)10-7-16(21)18-11-8-17-9-12-18/h2-6,17H,7-13H2,1H3.
What are the key properties of N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide?
N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide has a molecular weight of 289.38 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(3-oxo-3-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 119400405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).