3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

C14H23NO3 — CID 103551239

IUPAC3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CCN(C(=O)C2CCC(C(=O)O)C2)CC1C
InChIInChI=1S/C14H23NO3/c1-9-5-6-15(8-10(9)2)13(16)11-3-4-12(7-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyQNLRVUQYVGDEBA-UHFFFAOYSA-N
MW253.34 g/mol
LogP1.99
Rot. Bonds2

About 3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid

3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103551239) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103551239
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CCN(C(=O)C2CCC(C(=O)O)C2)CC1C
InChIInChI=1S/C14H23NO3/c1-9-5-6-15(8-10(9)2)13(16)11-3-4-12(7-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18)
InChIKeyQNLRVUQYVGDEBA-UHFFFAOYSA-N
XLogP1.99
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 ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776
cis-(1S,3R)-3-[3-(methoxymethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114092440
3-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63790111
3-(4-methylazepane-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550750
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
cis-(1S,3R)-3-(3,4,5-trimethylpiperazine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114093101
3-(3-aminopiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550534
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
3-[3-(methylcarbamoyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 103551311
3-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 112627138
cis-(1R,3S)-3-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 139534269

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid (CID 103551239) is 3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is CC1CCN(C(=O)C2CCC(C(=O)O)C2)CC1C.
What is the InChIKey of 3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is QNLRVUQYVGDEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9-5-6-15(8-10(9)2)13(16)11-3-4-12(7-11)14(17)18/h9-12H,3-8H2,1-2H3,(H,17,18).
What are the key properties of 3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid?
3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103551239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).