4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid

C18H25NO4 — CID 72838042

IUPAC4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid
SMILESCCOC(C)(C)C(=O)N1CCCC(c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C18H25NO4/c1-4-23-18(2,3)17(22)19-11-5-6-15(12-19)13-7-9-14(10-8-13)16(20)21/h7-10,15H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyKITCZCXEIDVUIY-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.91
Rot. Bonds5

About 4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid

4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid (PubChem CID 72838042) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid
PubChem CID72838042
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid
SMILESCCOC(C)(C)C(=O)N1CCCC(c2ccc(C(=O)O)cc2)C1
InChIInChI=1S/C18H25NO4/c1-4-23-18(2,3)17(22)19-11-5-6-15(12-19)13-7-9-14(10-8-13)16(20)21/h7-10,15H,4-6,11-12H2,1-3H3,(H,20,21)
InChIKeyKITCZCXEIDVUIY-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic 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-[1-[2-(diethylamino)acetyl]piperidin-3-yl]benzoic acid
CID 72876996
4-[1-(3-methoxypropanoyl)piperidin-3-yl]benzoic acid
CID 72850979
4-[(3R)-1-[2-(4-ethylpiperazin-1-yl)acetyl]piperidin-3-yl]benzoic acid
CID 97210569
4-[(3R)-1-(3-cyclopropylpropanoyl)piperidin-3-yl]benzoic acid
CID 97193946
4-[(3S)-1-[2-[ethyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]benzoic acid
CID 97210621
4-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97193909
4-[1-(4-methylsulfonylbenzoyl)piperidin-3-yl]benzoic acid
CID 72934601
4-[(3R)-1-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97196981
4-[(3R)-1-(2-morpholin-4-ylacetyl)piperidin-3-yl]benzoic acid
CID 97209889
4-[1-(2-adamantyloxycarbonyl)piperidin-3-yl]benzoic acid
CID 58171540
1-[3-(4-fluorophenyl)azepan-1-yl]-2,2-dimethylpropan-1-one
CID 90608728
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid?
The IUPAC name of 4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid (CID 72838042) is 4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid.
What is the SMILES notation for 4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid?
The canonical SMILES for 4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid is CCOC(C)(C)C(=O)N1CCCC(c2ccc(C(=O)O)cc2)C1.
What is the InChIKey of 4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid?
The InChIKey is KITCZCXEIDVUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-4-23-18(2,3)17(22)19-11-5-6-15(12-19)13-7-9-14(10-8-13)16(20)21/h7-10,15H,4-6,11-12H2,1-3H3,(H,20,21).
What are the key properties of 4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid?
4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid has a molecular weight of 319.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxy-2-methylpropanoyl)piperidin-3-yl]benzoic acid is sourced from PubChem (CID 72838042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).