1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid

C19H20FN3O3 — CID 122008448

IUPAC1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC(c2cccc(F)c2)c2ccccn2)C1
InChIInChI=1S/C19H20FN3O3/c20-15-7-3-5-13(11-15)17(16-8-1-2-9-21-16)22-19(26)23-10-4-6-14(12-23)18(24)25/h1-3,5,7-9,11,14,17H,4,6,10,12H2,(H,22,26)(H,24,25)
InChIKeyGUHSTSSQADZOIQ-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.82
Rot. Bonds4

About 1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid

1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122008448) has the molecular formula C19H20FN3O3 and a molecular weight of 357.38 g/mol. Its IUPAC name is 1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122008448
Molecular FormulaC19H20FN3O3
Molecular Weight357.38 g/mol
Exact Mass357.15
IUPAC Name1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)NC(c2cccc(F)c2)c2ccccn2)C1
InChIInChI=1S/C19H20FN3O3/c20-15-7-3-5-13(11-15)17(16-8-1-2-9-21-16)22-19(26)23-10-4-6-14(12-23)18(24)25/h1-3,5,7-9,11,14,17H,4,6,10,12H2,(H,22,26)(H,24,25)
InChIKeyGUHSTSSQADZOIQ-UHFFFAOYSA-N
XLogP2.82
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122008446
3-(hydroxymethyl)-N-[phenyl(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 110894997
N-[(3-fluorophenyl)-pyridin-2-ylmethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110016699
(3S)-1-[(2R)-2-(3-fluorophenyl)propanoyl]piperidine-3-carboxylic acid
CID 124576767
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
(3R)-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 81120555
(2R)-N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97227060
N-[1-(3-fluorophenyl)ethyl]azepane-1-carboxamide
CID 115575913
1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
CID 122006228
1-[[cyclobutyl-(4-fluorophenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000877
1-[[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122074687
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669

Frequently Asked Questions

What is the IUPAC name of 1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid (CID 122008448) is 1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)NC(c2cccc(F)c2)c2ccccn2)C1.
What is the InChIKey of 1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is GUHSTSSQADZOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c20-15-7-3-5-13(11-15)17(16-8-1-2-9-21-16)22-19(26)23-10-4-6-14(12-23)18(24)25/h1-3,5,7-9,11,14,17H,4,6,10,12H2,(H,22,26)(H,24,25).
What are the key properties of 1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 357.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-fluorophenyl)-pyridin-2-ylmethyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122008448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).