2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide

C19H29N3O2 — CID 110283149

IUPAC2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1NCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C19H29N3O2/c1-3-11-21(12-4-2)18(23)14-17-19(24)22(13-10-20-17)15-16-8-6-5-7-9-16/h5-9,17,20H,3-4,10-15H2,1-2H3
InChIKeyHMUILSIFGFJGLI-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.03
Rot. Bonds8

About 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide

2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide (PubChem CID 110283149) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide
PubChem CID110283149
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CC1NCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C19H29N3O2/c1-3-11-21(12-4-2)18(23)14-17-19(24)22(13-10-20-17)15-16-8-6-5-7-9-16/h5-9,17,20H,3-4,10-15H2,1-2H3
InChIKeyHMUILSIFGFJGLI-UHFFFAOYSA-N
XLogP2.03
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide;hydrochloride
CID 110283148
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-diethylacetamide;hydrochloride
CID 110283124
(3S)-1-benzyl-3-ethylpiperazin-2-one
CID 45095306
2-(4-benzyl-3-oxopiperazin-2-yl)acetamide;hydrochloride
CID 110283164
2-[4-(2-methoxyethyl)-3-oxopiperazin-2-yl]-N,N-dipropylacetamide;hydrochloride
CID 110282954
2-(4-benzyl-3-oxopiperazin-2-yl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110283183
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
N-(2-hydroxyethyl)-N-methyl-2-[3-oxo-4-(3-phenylpropyl)piperazin-2-yl]acetamide
CID 110283222
2-(4-benzyl-3-oxopiperazin-2-yl)-N-cyclopropylacetamide
CID 110283187
1-benzyl-3-[2-(2-fluorophenyl)-2-oxoethyl]piperazin-2-one
CID 102002003
N-benzyl-2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-methylacetamide;hydrochloride
CID 110282667
2-[(2S)-4-benzyl-3-oxopiperazin-2-yl]-N-(4-chlorophenyl)acetamide
CID 7188924

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide?
The IUPAC name of 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide (CID 110283149) is 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide.
What is the SMILES notation for 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide?
The canonical SMILES for 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide is CCCN(CCC)C(=O)CC1NCCN(Cc2ccccc2)C1=O.
What is the InChIKey of 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide?
The InChIKey is HMUILSIFGFJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-3-11-21(12-4-2)18(23)14-17-19(24)22(13-10-20-17)15-16-8-6-5-7-9-16/h5-9,17,20H,3-4,10-15H2,1-2H3.
What are the key properties of 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide?
2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide has a molecular weight of 331.46 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-3-oxopiperazin-2-yl)-N,N-dipropylacetamide is sourced from PubChem (CID 110283149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).