3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid

C12H21NO2 — CID 83820985

IUPAC3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCCCC2)C1
InChIInChI=1S/C12H21NO2/c14-12(15)11-5-4-10(8-11)9-13-6-2-1-3-7-13/h10-11H,1-9H2,(H,14,15)
InChIKeyZNSZKXSUXQQSMA-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds3

About 3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid

3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid (PubChem CID 83820985) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid
PubChem CID83820985
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(CN2CCCCC2)C1
InChIInChI=1S/C12H21NO2/c14-12(15)11-5-4-10(8-11)9-13-6-2-1-3-7-13/h10-11H,1-9H2,(H,14,15)
InChIKeyZNSZKXSUXQQSMA-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(morpholin-4-ylmethyl)cyclopentane-1-carboxylic acid
CID 83821302
2-(piperidin-1-ylmethyl)cyclopropane-1-carboxylic acid
CID 67187694
1-(cyclopropylmethyl)piperidine-3-carboxylic acid;hydrochloride
CID 53393263
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
1-[(4-methylcyclohexyl)methyl]piperidine
CID 58936411
1-[4-(cyclopropylmethyl)piperazine-1-carbonyl]piperidine-3-carboxylic acid
CID 61442764
(3S)-1-(cyclopentylmethyl)piperidine-3-carboxylic acid
CID 51441057
3-(2-fluoroethyl)cyclopentane-1-carboxylic acid
CID 84716733
1-[[(3S)-3,6-dimethylcycloheptyl]methyl]piperidine
CID 137427496
1-[(3-methylcyclobutyl)methyl]piperidine
CID 120999950
(3S)-cyclopentane-1,3-dicarboxylic acid
CID 138481198
3-(pyrrolidin-1-ylmethyl)cyclohexan-1-ol
CID 106131519

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid (CID 83820985) is 3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(CN2CCCCC2)C1.
What is the InChIKey of 3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid?
The InChIKey is ZNSZKXSUXQQSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-12(15)11-5-4-10(8-11)9-13-6-2-1-3-7-13/h10-11H,1-9H2,(H,14,15).
What are the key properties of 3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid?
3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid has a molecular weight of 211.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 83820985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).