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

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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).