1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid

C14H23NO3 — CID 91503415

IUPAC1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid
SMILESO=C1CCN(C2(C(=O)O)CCCCCCC2)CC1
InChIInChI=1S/C14H23NO3/c16-12-6-10-15(11-7-12)14(13(17)18)8-4-2-1-3-5-9-14/h1-11H2,(H,17,18)
InChIKeyDIFYEHVIDUZQNS-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.22
Rot. Bonds2

About 1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid

1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid (PubChem CID 91503415) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid
PubChem CID91503415
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid
SMILESO=C1CCN(C2(C(=O)O)CCCCCCC2)CC1
InChIInChI=1S/C14H23NO3/c16-12-6-10-15(11-7-12)14(13(17)18)8-4-2-1-3-5-9-14/h1-11H2,(H,17,18)
InChIKeyDIFYEHVIDUZQNS-UHFFFAOYSA-N
XLogP2.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-oxopiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 69352996
1-(1,1-dioxo-1,4-thiazinan-4-yl)cyclohexane-1-carboxylic acid
CID 61291228
1-morpholin-4-ylcyclohexane-1-carboxylic acid;hydrochloride
CID 66545433
1-(4-methyl-1,4-diazepan-1-yl)cyclohexane-1-carboxylic acid
CID 114994908
1-(2-azaspiro[3.3]heptan-2-yl)cycloheptane-1-carboxylic acid
CID 79694328
1-(3-propan-2-ylazetidin-1-yl)cycloheptane-1-carboxylic acid
CID 79694842
4-piperidin-1-ylpiperidine-4-carboxylic acid
CID 22185355
4-(azepan-1-yl)-1-methylpiperidine-4-carboxylic acid
CID 54914400
1-(4-propylpiperazin-1-yl)cyclopentane-1-carboxylic acid
CID 114994913
1-(3,3-dimethylazetidin-1-yl)cyclopentane-1-carboxylic acid
CID 79695154
1-(3-aminopiperidin-1-yl)cyclohexane-1-carboxylic acid
CID 82235388
1-methyl-4-(4-methylpiperazin-1-yl)azepane-4-carboxylic acid
CID 65420767

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid?
The IUPAC name of 1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid (CID 91503415) is 1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid is O=C1CCN(C2(C(=O)O)CCCCCCC2)CC1.
What is the InChIKey of 1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid?
The InChIKey is DIFYEHVIDUZQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c16-12-6-10-15(11-7-12)14(13(17)18)8-4-2-1-3-5-9-14/h1-11H2,(H,17,18).
What are the key properties of 1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid?
1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxopiperidin-1-yl)cyclooctane-1-carboxylic acid is sourced from PubChem (CID 91503415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).