1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid

C14H25NO2 — CID 114431174

IUPAC1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(CC2CCCC2)C(C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-2-11-7-8-15(13(9-11)14(16)17)10-12-5-3-4-6-12/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyPAWQFUMKYSFHJK-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds4

About 1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid

1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid (PubChem CID 114431174) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
PubChem CID114431174
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid
SMILESCCC1CCN(CC2CCCC2)C(C(=O)O)C1
InChIInChI=1S/C14H25NO2/c1-2-11-7-8-15(13(9-11)14(16)17)10-12-5-3-4-6-12/h11-13H,2-10H2,1H3,(H,16,17)
InChIKeyPAWQFUMKYSFHJK-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylamino)ethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431248
4-ethyl-1-(2-methylpropyl)piperidine-2-carboxylic acid
CID 114430632
1-[2-(cyclopentylamino)-2-oxoethyl]-4-ethylpiperidine-2-carboxylic acid
CID 114431254
4-ethyl-1-(4-hydroxybutyl)piperidine-2-carboxylic acid
CID 114431447
4-ethyl-1-(3-methoxypropyl)piperidine-2-carboxylic acid
CID 114431008
4-ethyl-1-[3-oxo-3-(propan-2-ylamino)propyl]piperidine-2-carboxylic acid
CID 114430884
4-ethyl-1-pent-4-enylpiperidine-2-carboxylic acid
CID 114431232
4-ethyl-1-hept-6-enylpiperidine-2-carboxylic acid
CID 107007902
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
4-ethyl-1-(2-hydroxy-3-propan-2-yloxypropyl)piperidine-2-carboxylic acid
CID 114430814
4-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-2-carboxylic acid
CID 114431889
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid (CID 114431174) is 1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid is CCC1CCN(CC2CCCC2)C(C(=O)O)C1.
What is the InChIKey of 1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid?
The InChIKey is PAWQFUMKYSFHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-2-11-7-8-15(13(9-11)14(16)17)10-12-5-3-4-6-12/h11-13H,2-10H2,1H3,(H,16,17).
What are the key properties of 1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid?
1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid has a molecular weight of 239.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-4-ethylpiperidine-2-carboxylic acid is sourced from PubChem (CID 114431174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).