1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid

C16H23NO3 — CID 3571915

IUPAC1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESCCc1ccc(OC)c(CN2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C16H23NO3/c1-3-12-6-7-15(20-2)14(9-12)11-17-8-4-5-13(10-17)16(18)19/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,18,19)
InChIKeyKUCCVVNNQNGCDB-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.55
Rot. Bonds5

About 1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid

1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 3571915) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
PubChem CID3571915
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
SMILESCCc1ccc(OC)c(CN2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C16H23NO3/c1-3-12-6-7-15(20-2)14(9-12)11-17-8-4-5-13(10-17)16(18)19/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,18,19)
InChIKeyKUCCVVNNQNGCDB-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-ethyl-4,6-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 166303450
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
3-[(3-carbamoylpiperidin-1-yl)methyl]-4-methoxybenzoic acid
CID 62019341
1-[(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]piperidine-3-carboxylic acid
CID 91779862
1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 122040812
1-[(5-acetyl-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 43226156
(3R)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 27267231
[3-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]methanol
CID 62018213
1-[2-(3-amino-4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 82256028
(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 1067982
1-[(3-bromo-4-hydroxy-5-methoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 65053978
azepan-1-yl-[(3S)-1-[(5-bromo-2-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 1293873

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid (CID 3571915) is 1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid is CCc1ccc(OC)c(CN2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is KUCCVVNNQNGCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-12-6-7-15(20-2)14(9-12)11-17-8-4-5-13(10-17)16(18)19/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,18,19).
What are the key properties of 1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid?
1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3571915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).