1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid

C18H17F2N3O4 — CID 122091824

IUPAC1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC1
InChIInChI=1S/C18H17F2N3O4/c19-13-2-1-3-14(16(13)20)27-15-5-4-12(10-21-15)22-18(26)23-8-6-11(7-9-23)17(24)25/h1-5,10-11H,6-9H2,(H,22,26)(H,24,25)
InChIKeyKRMDQIPDHWHYLW-UHFFFAOYSA-N
MW377.35 g/mol
LogP3.48
Rot. Bonds4

About 1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid

1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122091824) has the molecular formula C18H17F2N3O4 and a molecular weight of 377.35 g/mol. Its IUPAC name is 1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122091824
Molecular FormulaC18H17F2N3O4
Molecular Weight377.35 g/mol
Exact Mass377.12
IUPAC Name1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC1
InChIInChI=1S/C18H17F2N3O4/c19-13-2-1-3-14(16(13)20)27-15-5-4-12(10-21-15)22-18(26)23-8-6-11(7-9-23)17(24)25/h1-5,10-11H,6-9H2,(H,22,26)(H,24,25)
InChIKeyKRMDQIPDHWHYLW-UHFFFAOYSA-N
XLogP3.48
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-(4-chlorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078011
1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085769
(3S)-N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124607684
1-[(2-phenylpyrimidin-5-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122076993
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55743984
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086116
1-(2,3-difluorobenzoyl)piperidine-4-carboxylic acid
CID 62650616
1-[[3-(2-fluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086770
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087514
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
1-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122075150

Frequently Asked Questions

What is the IUPAC name of 1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid (CID 122091824) is 1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(Oc3cccc(F)c3F)nc2)CC1.
What is the InChIKey of 1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is KRMDQIPDHWHYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O4/c19-13-2-1-3-14(16(13)20)27-15-5-4-12(10-21-15)22-18(26)23-8-6-11(7-9-23)17(24)25/h1-5,10-11H,6-9H2,(H,22,26)(H,24,25).
What are the key properties of 1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 377.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-(2,3-difluorophenoxy)-3-pyridinyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122091824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).