3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one

C17H29N3O2 — CID 110283438

IUPAC3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
SMILESO=C(CC1NCCN(CC2CCC2)C1=O)N1CCCCCC1
InChIInChI=1S/C17H29N3O2/c21-16(19-9-3-1-2-4-10-19)12-15-17(22)20(11-8-18-15)13-14-6-5-7-14/h14-15,18H,1-13H2
InChIKeyPULMGEPJJLIXBL-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.38
Rot. Bonds4

About 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one

3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one (PubChem CID 110283438) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one.

Molecular Properties

Compound Name3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
PubChem CID110283438
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one
SMILESO=C(CC1NCCN(CC2CCC2)C1=O)N1CCCCCC1
InChIInChI=1S/C17H29N3O2/c21-16(19-9-3-1-2-4-10-19)12-15-17(22)20(11-8-18-15)13-14-6-5-7-14/h14-15,18H,1-13H2
InChIKeyPULMGEPJJLIXBL-UHFFFAOYSA-N
XLogP1.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635
1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282647
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 110283411
3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-propylpiperazin-2-one
CID 110282733
3-[2-(azepan-1-yl)-2-oxoethyl]-1-benzylpiperazin-2-one
CID 110283147
1-methyl-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282452
1-[(3,5-difluorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283912
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 110283482
1-[(2-chlorophenyl)methyl]-3-(2-oxo-2-piperidin-1-ylethyl)piperazin-2-one
CID 110283814
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
2-[4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]-N-(2-methoxyethyl)acetamide
CID 110283466
3-[2-(azepan-1-yl)-2-oxoethyl]-1-[(3-bromophenyl)methyl]piperazin-2-one;hydrochloride
CID 110283633

Frequently Asked Questions

What is the IUPAC name of 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one?
The IUPAC name of 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one (CID 110283438) is 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one.
What is the SMILES notation for 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one?
The canonical SMILES for 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one is O=C(CC1NCCN(CC2CCC2)C1=O)N1CCCCCC1.
What is the InChIKey of 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one?
The InChIKey is PULMGEPJJLIXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c21-16(19-9-3-1-2-4-10-19)12-15-17(22)20(11-8-18-15)13-14-6-5-7-14/h14-15,18H,1-13H2.
What are the key properties of 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one?
3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one has a molecular weight of 307.44 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(azepan-1-yl)-2-oxoethyl]-1-(cyclobutylmethyl)piperazin-2-one is sourced from PubChem (CID 110283438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).