4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid

C19H28N2O2 — CID 167041268

IUPAC4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid
SMILESCCN(CC1CCN(c2ccc(C(=O)O)cc2)CC1)C1CCC1
InChIInChI=1S/C19H28N2O2/c1-2-20(17-4-3-5-17)14-15-10-12-21(13-11-15)18-8-6-16(7-9-18)19(22)23/h6-9,15,17H,2-5,10-14H2,1H3,(H,22,23)
InChIKeyYLPFIQJLXBLHCA-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.48
Rot. Bonds6

About 4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid

4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid (PubChem CID 167041268) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid
PubChem CID167041268
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid
SMILESCCN(CC1CCN(c2ccc(C(=O)O)cc2)CC1)C1CCC1
InChIInChI=1S/C19H28N2O2/c1-2-20(17-4-3-5-17)14-15-10-12-21(13-11-15)18-8-6-16(7-9-18)19(22)23/h6-9,15,17H,2-5,10-14H2,1H3,(H,22,23)
InChIKeyYLPFIQJLXBLHCA-UHFFFAOYSA-N
XLogP3.48
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-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-(4-decylpiperidin-1-yl)benzoic acid
CID 86127158
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
4-[[1-(4-formylphenyl)piperidin-4-yl]methyl]benzoic acid
CID 174842373
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
1-[4-(4-ethylpiperidin-1-yl)phenyl]-2,2-dimethylpropan-1-one
CID 58256894
1-(4-aminophenyl)-N,N-diethylpiperidin-4-amine
CID 19804348
4-[4-(4-carboxyphenyl)piperazin-1-yl]benzoic acid
CID 86748187
N-cyclopropyl-N-ethyl-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111520410
2-[[1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122062329
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
N,N-bis(cyclopropylmethyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111538804
4-(4,4-dimethylpiperidin-1-yl)benzoic acid
CID 11535980

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid?
The IUPAC name of 4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid (CID 167041268) is 4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid.
What is the SMILES notation for 4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid?
The canonical SMILES for 4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid is CCN(CC1CCN(c2ccc(C(=O)O)cc2)CC1)C1CCC1.
What is the InChIKey of 4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid?
The InChIKey is YLPFIQJLXBLHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-2-20(17-4-3-5-17)14-15-10-12-21(13-11-15)18-8-6-16(7-9-18)19(22)23/h6-9,15,17H,2-5,10-14H2,1H3,(H,22,23).
What are the key properties of 4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid?
4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid has a molecular weight of 316.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[cyclobutyl(ethyl)amino]methyl]piperidin-1-yl]benzoic acid is sourced from PubChem (CID 167041268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).