1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid

C19H20N2O4 — CID 102553843

IUPAC1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C19H20N2O4/c22-18(21-10-2-1-8-17(21)19(23)24)15-6-3-7-16(11-15)25-13-14-5-4-9-20-12-14/h3-7,9,11-12,17H,1-2,8,10,13H2,(H,23,24)
InChIKeyMSEJQMVSMDQJBI-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.74
Rot. Bonds5

About 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid

1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid (PubChem CID 102553843) 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-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
PubChem CID102553843
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cccc(OCc2cccnc2)c1
InChIInChI=1S/C19H20N2O4/c22-18(21-10-2-1-8-17(21)19(23)24)15-6-3-7-16(11-15)25-13-14-5-4-9-20-12-14/h3-7,9,11-12,17H,1-2,8,10,13H2,(H,23,24)
InChIKeyMSEJQMVSMDQJBI-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid
CID 102553984
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124689326
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-4-carboxylic acid
CID 119349727
(2S)-1-[3-[(3-fluorophenoxy)methyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119365906
1-[3-[(6-methyl-3-pyridinyl)oxymethyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119355401
1-(3-propoxybenzoyl)piperidine-2-carboxylic acid
CID 62406215
1-[3-[[2-(pyridin-3-ylmethylsulfanyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 75429541
(4-amino-2-methylpiperidin-1-yl)-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 122149100
[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124691848
(2S)-1-(3-pyrazin-2-yloxybenzoyl)pyrrolidine-2-carboxylic acid
CID 119366265
(2R)-1-(3-cyclopentyloxybenzoyl)piperidine-2-carboxylic acid
CID 99639499
(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
CID 125118825

Frequently Asked Questions

What is the IUPAC name of 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid (CID 102553843) is 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1cccc(OCc2cccnc2)c1.
What is the InChIKey of 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid?
The InChIKey is MSEJQMVSMDQJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-18(21-10-2-1-8-17(21)19(23)24)15-6-3-7-16(11-15)25-13-14-5-4-9-20-12-14/h3-7,9,11-12,17H,1-2,8,10,13H2,(H,23,24).
What are the key properties of 1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid?
1-[3-(pyridin-3-ylmethoxy)benzoyl]piperidine-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 2.74, 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-2-carboxylic acid is sourced from PubChem (CID 102553843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).