1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid

C19H20FN3O4 — CID 122086116

IUPAC1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CC1
InChIInChI=1S/C19H20FN3O4/c20-16-11-14(4-5-17(16)27-12-15-3-1-2-8-21-15)22-19(26)23-9-6-13(7-10-23)18(24)25/h1-5,8,11,13H,6-7,9-10,12H2,(H,22,26)(H,24,25)
InChIKeyOKBCZGOSVHWRIT-UHFFFAOYSA-N
MW373.38 g/mol
LogP3.13
Rot. Bonds5

About 1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid

1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122086116) has the molecular formula C19H20FN3O4 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122086116
Molecular FormulaC19H20FN3O4
Molecular Weight373.38 g/mol
Exact Mass373.14
IUPAC Name1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CC1
InChIInChI=1S/C19H20FN3O4/c20-16-11-14(4-5-17(16)27-12-15-3-1-2-8-21-15)22-19(26)23-9-6-13(7-10-23)18(24)25/h1-5,8,11,13H,6-7,9-10,12H2,(H,22,26)(H,24,25)
InChIKeyOKBCZGOSVHWRIT-UHFFFAOYSA-N
XLogP3.13
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]piperazine-1-carboxamide
CID 60600985
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
2-cyano-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 168523388
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-2,3-dihydroxy-3-methylbutanamide
CID 166253172
1-(pyridin-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 43318535
4-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]butanamide;dihydrochloride
CID 119898314
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide
CID 119898305
1-amino-N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119898304
N-[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]-4-hydroxypyrrolidine-2-carboxamide;dihydrochloride
CID 119898286
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 60600808
4-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086111

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid (CID 122086116) is 1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CC1.
What is the InChIKey of 1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is OKBCZGOSVHWRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-16-11-14(4-5-17(16)27-12-15-3-1-2-8-21-15)22-19(26)23-9-6-13(7-10-23)18(24)25/h1-5,8,11,13H,6-7,9-10,12H2,(H,22,26)(H,24,25).
What are the key properties of 1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 373.38 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122086116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).