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

C16H16ClFN4O2 — CID 122258586

IUPACN-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H16ClFN4O2/c17-13-5-1-2-6-14(13)21-16(23)22-7-3-4-12(10-22)24-15-19-8-11(18)9-20-15/h1-2,5-6,8-9,12H,3-4,7,10H2,(H,21,23)
InChIKeySOWJSFFXMQKCFQ-UHFFFAOYSA-N
MW350.78 g/mol
LogP3.34
Rot. Bonds3

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

N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide (PubChem CID 122258586) has the molecular formula C16H16ClFN4O2 and a molecular weight of 350.78 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
PubChem CID122258586
Molecular FormulaC16H16ClFN4O2
Molecular Weight350.78 g/mol
Exact Mass350.09
IUPAC NameN-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Cl)N1CCCC(Oc2ncc(F)cn2)C1
InChIInChI=1S/C16H16ClFN4O2/c17-13-5-1-2-6-14(13)21-16(23)22-7-3-4-12(10-22)24-15-19-8-11(18)9-20-15/h1-2,5-6,8-9,12H,3-4,7,10H2,(H,21,23)
InChIKeySOWJSFFXMQKCFQ-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

3-(5-fluoropyrimidin-2-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 122258608
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258569
N-(2-fluorophenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257527
N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261023
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 122259565
(2-fluorophenyl)-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122258327
N-(2-methoxyphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257523
(3R)-N-(2-chlorophenyl)-3-pyridin-2-yloxypyrrolidine-1-carboxamide
CID 129417495
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 122258285
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-pyridin-3-ylmethanone
CID 122258424
(2-chloro-6-fluorophenyl)-[(3S)-3-(5-fluoropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 129355694
2-cyclopropyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258510

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide (CID 122258586) is N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide is O=C(Nc1ccccc1Cl)N1CCCC(Oc2ncc(F)cn2)C1.
What is the InChIKey of N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
The InChIKey is SOWJSFFXMQKCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O2/c17-13-5-1-2-6-14(13)21-16(23)22-7-3-4-12(10-22)24-15-19-8-11(18)9-20-15/h1-2,5-6,8-9,12H,3-4,7,10H2,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide?
N-(2-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-(2-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 122258586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).