3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

C14H23NO3 — CID 103550866

IUPAC3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CCC(C)N(C(=O)C2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H23NO3/c1-9-3-4-10(2)15(8-9)13(16)11-5-6-12(7-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyPXQXNWDPJXTVOP-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.13
Rot. Bonds2

About 3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103550866) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103550866
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CCC(C)N(C(=O)C2CCC(C(=O)O)C2)C1
InChIInChI=1S/C14H23NO3/c1-9-3-4-10(2)15(8-9)13(16)11-5-6-12(7-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyPXQXNWDPJXTVOP-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone
CID 145040393
cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093101
1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083654
1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122083640
1-(3,5-dimethyloxolane-2-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112709
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113722
cyclohexane-1,4-dicarboxylic acid;cyclopentane-1,3-dicarboxylic acid
CID 161475893
4-(2-methyl-4-phenylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 120674509
(3R,6R)-1,6-dimethylpiperidine-3-carboxylic acid
CID 124547889

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 103550866) is 3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is CC1CCC(C)N(C(=O)C2CCC(C(=O)O)C2)C1.
What is the InChIKey of 3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is PXQXNWDPJXTVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-3-4-10(2)15(8-9)13(16)11-5-6-12(7-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).