N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide

C17H18F2N4O2 — CID 138989107

IUPACN-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCCC(COc2ncccn2)C1
InChIInChI=1S/C17H18F2N4O2/c18-13-5-1-6-14(19)15(13)22-17(24)23-9-2-4-12(10-23)11-25-16-20-7-3-8-21-16/h1,3,5-8,12H,2,4,9-11H2,(H,22,24)
InChIKeyCVCPGTQBNZNXOD-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.08
Rot. Bonds4

About N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide

N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide (PubChem CID 138989107) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide
PubChem CID138989107
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC NameN-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide
SMILESO=C(Nc1c(F)cccc1F)N1CCCC(COc2ncccn2)C1
InChIInChI=1S/C17H18F2N4O2/c18-13-5-1-6-14(19)15(13)22-17(24)23-9-2-4-12(10-23)11-25-16-20-7-3-8-21-16/h1,3,5-8,12H,2,4,9-11H2,(H,22,24)
InChIKeyCVCPGTQBNZNXOD-UHFFFAOYSA-N
XLogP3.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-chloro-2-pyridinyl)oxymethyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 163353441
N-(2,6-difluorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268310
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
(3S)-3-[(2-bromo-3-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 143633716
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
3-(cyclopentylsulfamoyl)-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 75476010
1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 107601918
(3S)-3-[(2-fluorophenoxy)methyl]-N-(1H-imidazol-2-ylmethyl)piperidine-1-carboxamide
CID 126430160
tert-butyl 3-[(2,6-difluorophenoxy)methyl]piperidine-1-carboxylate
CID 24902536
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
(3S)-N-(2-fluoro-6-methoxyphenyl)-3-(piperidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 99826576
N-(3-amino-3-oxopropyl)-3-[(2-fluorophenoxy)methyl]piperidine-1-carboxamide
CID 119071247

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide (CID 138989107) is N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide is O=C(Nc1c(F)cccc1F)N1CCCC(COc2ncccn2)C1.
What is the InChIKey of N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide?
The InChIKey is CVCPGTQBNZNXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c18-13-5-1-6-14(19)15(13)22-17(24)23-9-2-4-12(10-23)11-25-16-20-7-3-8-21-16/h1,3,5-8,12H,2,4,9-11H2,(H,22,24).
What are the key properties of N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide?
N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide has a molecular weight of 348.35 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-3-(pyrimidin-2-yloxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 138989107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).