1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one

C14H23N3O3 — CID 128926489

IUPAC1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one
SMILESCC(=O)N1CCN(C(=O)CN2CCCCCC2=O)CC1
InChIInChI=1S/C14H23N3O3/c1-12(18)15-7-9-16(10-8-15)14(20)11-17-6-4-2-3-5-13(17)19/h2-11H2,1H3
InChIKeyLLFDOBQHNQOXGX-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.08
Rot. Bonds2

About 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one

1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one (PubChem CID 128926489) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one.

Molecular Properties

Compound Name1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one
PubChem CID128926489
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one
SMILESCC(=O)N1CCN(C(=O)CN2CCCCCC2=O)CC1
InChIInChI=1S/C14H23N3O3/c1-12(18)15-7-9-16(10-8-15)14(20)11-17-6-4-2-3-5-13(17)19/h2-11H2,1H3
InChIKeyLLFDOBQHNQOXGX-UHFFFAOYSA-N
XLogP0.08
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Piperazine, 1,4-divaleryl-
CID 205870
Piperazine, 1,4-dihexanoyl-
CID 205871
N,N-diethyl-1-methylpiperidine-2-carboxamide
CID 68265026
1-[2-Oxo-2-(pyrrolidin-1-yl)ethyl]azepan-2-one
CID 22945841
1-(2-Oxo-2-piperidin-1-ylethyl)azepan-2-one
CID 40230893
1-[2-(Azepan-1-yl)-2-oxoethyl]azepan-2-one
CID 40230915
1-Ethyl-4-(2-oxo-2-piperidin-1-ylethyl)-1,4-diazepan-5-one
CID 53013997
1-Methyl-7-(4-propan-2-ylpiperazine-1-carbonyl)azepan-2-one
CID 110196293
N,N-diethyl-1-methyl-7-oxoazepane-2-carboxamide
CID 110196295
1-Methyl-7-(piperidine-1-carbonyl)azepan-2-one
CID 110196296
1-[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl]azepan-2-one
CID 42910134
1-[2-(4-Ethylpiperazin-1-yl)-2-oxoethyl]azocan-2-one
CID 53512742

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one?
The IUPAC name of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one (CID 128926489) is 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one.
What is the SMILES notation for 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one?
The canonical SMILES for 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one is CC(=O)N1CCN(C(=O)CN2CCCCCC2=O)CC1.
What is the InChIKey of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one?
The InChIKey is LLFDOBQHNQOXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-12(18)15-7-9-16(10-8-15)14(20)11-17-6-4-2-3-5-13(17)19/h2-11H2,1H3.
What are the key properties of 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one?
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one has a molecular weight of 281.36 g/mol, XLogP of 0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]azepan-2-one is sourced from PubChem (CID 128926489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).