1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid

C19H20N2O4 — CID 119349727

IUPAC1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1
InChIInChI=1S/C19H20N2O4/c22-18(21-9-6-15(7-10-21)19(23)24)16-4-1-5-17(11-16)25-13-14-3-2-8-20-12-14/h1-5,8,11-12,15H,6-7,9-10,13H2,(H,23,24)
InChIKeyAFDLATZLBDNMGG-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.60
Rot. Bonds5

About 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid

1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid (PubChem CID 119349727) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
PubChem CID119349727
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1
InChIInChI=1S/C19H20N2O4/c22-18(21-9-6-15(7-10-21)19(23)24)16-4-1-5-17(11-16)25-13-14-3-2-8-20-12-14/h1-5,8,11-12,15H,6-7,9-10,13H2,(H,23,24)
InChIKeyAFDLATZLBDNMGG-UHFFFAOYSA-N
XLogP2.60
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-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

(4-anilinopiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 86826233
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 119410482
[(3R)-3-aminopyrrolidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119410481
[4-(1-aminoethyl)piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119517993
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553843
(4-methylsulfonylpiperazin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55822313
3-[[3-[4-(2-pyridin-3-ylacetyl)piperazine-1-carbonyl]phenoxy]methyl]benzoic acid
CID 58347609
(3S,4S)-1-[3-(pyridin-3-ylmethoxy)benzoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951216
2-methyl-N-[1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidin-4-yl]benzamide
CID 55777615
1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 122135504
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124692147
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 55774411

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid (CID 119349727) is 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cccc(OCc3cccnc3)c2)CC1.
What is the InChIKey of 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is AFDLATZLBDNMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(21-9-6-15(7-10-21)19(23)24)16-4-1-5-17(11-16)25-13-14-3-2-8-20-12-14/h1-5,8,11-12,15H,6-7,9-10,13H2,(H,23,24).
What are the key properties of 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid?
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).