N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide

C16H17FN4O2 — CID 122257527

IUPACN-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C16H17FN4O2/c17-13-6-1-2-7-14(13)20-16(22)21-10-3-5-12(11-21)23-15-18-8-4-9-19-15/h1-2,4,6-9,12H,3,5,10-11H2,(H,20,22)
InChIKeyNKPIAUNDLOAQLH-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.69
Rot. Bonds3

About N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide

N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide (PubChem CID 122257527) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
PubChem CID122257527
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC NameN-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1F)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C16H17FN4O2/c17-13-6-1-2-7-14(13)20-16(22)21-10-3-5-12(11-21)23-15-18-8-4-9-19-15/h1-2,4,6-9,12H,3,5,10-11H2,(H,20,22)
InChIKeyNKPIAUNDLOAQLH-UHFFFAOYSA-N
XLogP2.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
4-[1-[(2-fluorophenyl)carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
CID 122257011
N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258586
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
3-(5-fluoropyrimidin-2-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 122258608
N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914043
N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257519
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(2-fluorophenyl)-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638455
(3-fluoro-4-pyridinyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122267132
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
N-(2,6-difluorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268310

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide (CID 122257527) is N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide is O=C(Nc1ccccc1F)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
The InChIKey is NKPIAUNDLOAQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c17-13-6-1-2-7-14(13)20-16(22)21-10-3-5-12(11-21)23-15-18-8-4-9-19-15/h1-2,4,6-9,12H,3,5,10-11H2,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide?
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide has a molecular weight of 316.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide is sourced from PubChem (CID 122257527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).