N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide

C16H16ClFN4O2 — CID 122258569

IUPACN-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H16ClFN4O2/c17-11-3-5-13(6-4-11)21-16(23)22-7-1-2-14(10-22)24-15-19-8-12(18)9-20-15/h3-6,8-9,14H,1-2,7,10H2,(H,21,23)
InChIKeyALWHEPGTJRARQA-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.34
Rot. Bonds3

About N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide

N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide (PubChem CID 122258569) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
PubChem CID122258569
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC NameN-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H16ClFN4O2/c17-11-3-5-13(6-4-11)21-16(23)22-7-1-2-14(10-22)24-15-19-8-12(18)9-20-15/h3-6,8-9,14H,1-2,7,10H2,(H,21,23)
InChIKeyALWHEPGTJRARQA-UHFFFAOYSA-N
XLogP3.34
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.78
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258586
[1-(4-chlorophenyl)cyclopentyl]-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258384
3-(5-fluoropyrimidin-2-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 122258608
N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257519
N-(3,4-dichlorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268297
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
3-(3-chloro-4-fluorophenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122267241
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 122258285
2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methylphenyl)methanone
CID 122258311
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
N-(2,6-difluorophenyl)-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268310

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide (CID 122258569) is N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide is O=C(Nc1ccc(Cl)cc1)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
The InChIKey is ALWHEPGTJRARQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c17-11-3-5-13(6-4-11)21-16(23)22-7-1-2-14(10-22)24-15-19-8-12(18)9-20-15/h3-6,8-9,14H,1-2,7,10H2,(H,21,23).
What are the key properties of N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide has a molecular weight of 350.78 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 122258569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).