3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid

C18H25NO4 — CID 58738124

IUPAC3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid
SMILESCCC1CCCCN1C(=O)c1cc(OC(C)C)cc(C(=O)O)c1
InChIInChI=1S/C18H25NO4/c1-4-15-7-5-6-8-19(15)17(20)13-9-14(18(21)22)11-16(10-13)23-12(2)3/h9-12,15H,4-8H2,1-3H3,(H,21,22)
InChIKeyDRTHEUZAQTUBSO-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.58
Rot. Bonds5

About 3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid

3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid (PubChem CID 58738124) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid.

Molecular Properties

Compound Name3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid
PubChem CID58738124
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid
SMILESCCC1CCCCN1C(=O)c1cc(OC(C)C)cc(C(=O)O)c1
InChIInChI=1S/C18H25NO4/c1-4-15-7-5-6-8-19(15)17(20)13-9-14(18(21)22)11-16(10-13)23-12(2)3/h9-12,15H,4-8H2,1-3H3,(H,21,22)
InChIKeyDRTHEUZAQTUBSO-UHFFFAOYSA-N
XLogP3.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic 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

[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109240554
5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
3-ethoxy-5-[(2R)-2-(ethoxymethyl)pyrrolidine-1-carbonyl]benzoic acid
CID 58737848
(4-amino-3,5-dichlorophenyl)-(2-ethylazepan-1-yl)methanone
CID 115869139
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
(3-bromo-5-chlorophenyl)-(2-ethylpiperidin-1-yl)methanone
CID 107951572
5-(2-ethylpiperidine-1-carbonyl)-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109107457
[2-[2-(azepan-1-yl)ethyl]piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 23607119
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid?
The IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid (CID 58738124) is 3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid.
What is the SMILES notation for 3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid?
The canonical SMILES for 3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid is CCC1CCCCN1C(=O)c1cc(OC(C)C)cc(C(=O)O)c1.
What is the InChIKey of 3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid?
The InChIKey is DRTHEUZAQTUBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-4-15-7-5-6-8-19(15)17(20)13-9-14(18(21)22)11-16(10-13)23-12(2)3/h9-12,15H,4-8H2,1-3H3,(H,21,22).
What are the key properties of 3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid?
3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid has a molecular weight of 319.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidine-1-carbonyl)-5-propan-2-yloxybenzoic acid is sourced from PubChem (CID 58738124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).