1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid

C18H25NO3 — CID 122040362

IUPAC1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H25NO3/c20-18(21)17-10-3-4-11-19(17)13-14-6-5-9-16(12-14)22-15-7-1-2-8-15/h5-6,9,12,15,17H,1-4,7-8,10-11,13H2,(H,20,21)
InChIKeyZVUSYYINORZHQL-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.45
Rot. Bonds5

About 1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid

1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 122040362) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID122040362
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1Cc1cccc(OC2CCCC2)c1
InChIInChI=1S/C18H25NO3/c20-18(21)17-10-3-4-11-19(17)13-14-6-5-9-16(12-14)22-15-7-1-2-8-15/h5-6,9,12,15,17H,1-4,7-8,10-11,13H2,(H,20,21)
InChIKeyZVUSYYINORZHQL-UHFFFAOYSA-N
XLogP3.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-hydroxyphenyl)methyl]piperidine-2-carboxylic acid
CID 65054111
1-[(3-chlorophenyl)methyl]azocane-2-carboxylic acid
CID 114239898
1-[[3-(3-cyanopropoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 122040326
1-[(3-propoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 65056024
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758
2-[1-[(3-cyclopentyloxyphenyl)methyl]pyrrolidin-2-yl]ethanol
CID 74247164
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
ethyl 1-[(3-phenoxyphenyl)methyl]piperidine-2-carboxylate
CID 2838010
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
(2S)-1-[(3,4-dichlorophenyl)methyl]piperidine-2-carboxylic acid
CID 51441049
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
N-[1-[(3-cyclopentyloxyphenyl)methyl]piperidin-4-yl]cyclopropanecarboxamide
CID 154793860

Frequently Asked Questions

What is the IUPAC name of 1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid (CID 122040362) is 1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1Cc1cccc(OC2CCCC2)c1.
What is the InChIKey of 1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is ZVUSYYINORZHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c20-18(21)17-10-3-4-11-19(17)13-14-6-5-9-16(12-14)22-15-7-1-2-8-15/h5-6,9,12,15,17H,1-4,7-8,10-11,13H2,(H,20,21).
What are the key properties of 1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid?
1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 303.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-cyclopentyloxyphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 122040362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).