N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide

C13H23N3O3 — CID 113157923

IUPACN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)N1CCN(C(C)=O)CC1)C(C)=O
InChIInChI=1S/C13H23N3O3/c1-4-5-16(12(3)18)10-13(19)15-8-6-14(7-9-15)11(2)17/h4-10H2,1-3H3
InChIKeyJVFNCJYDPCCQSZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.06
Rot. Bonds4

About N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide

N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide (PubChem CID 113157923) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide
PubChem CID113157923
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)N1CCN(C(C)=O)CC1)C(C)=O
InChIInChI=1S/C13H23N3O3/c1-4-5-16(12(3)18)10-13(19)15-8-6-14(7-9-15)11(2)17/h4-10H2,1-3H3
InChIKeyJVFNCJYDPCCQSZ-UHFFFAOYSA-N
XLogP-0.06
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 113158629
N-(2-oxo-2-pyrrolidin-1-ylethyl)-N-pentylacetamide
CID 113166654
ethyl 4-[2-[acetyl(pentyl)amino]acetyl]piperazine-1-carboxylate
CID 113166709
N-ethyl-N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]acetamide
CID 142622337
N-(2-oxopropyl)-N-propylacetamide
CID 88778030
1-(4-acetylpiperazin-1-yl)-2-[azetidin-3-yl(propyl)amino]ethanone
CID 66216521
2-[acetyl(propyl)amino]acetic acid
CID 23279438
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165787
N-(3-methoxypropyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113159997
N-[3-(dimethylamino)propyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113160775
N-[2-(dimethylamino)ethyl]-2-[methyl-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]amino]-N-propylacetamide
CID 130390843
N-[2-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-N-propylacetamide
CID 46000671

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide?
The IUPAC name of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide (CID 113157923) is N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide.
What is the SMILES notation for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide?
The canonical SMILES for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide is CCCN(CC(=O)N1CCN(C(C)=O)CC1)C(C)=O.
What is the InChIKey of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide?
The InChIKey is JVFNCJYDPCCQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-5-16(12(3)18)10-13(19)15-8-6-14(7-9-15)11(2)17/h4-10H2,1-3H3.
What are the key properties of N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide?
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide has a molecular weight of 269.34 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N-propylacetamide is sourced from PubChem (CID 113157923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).