3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

C18H21FN4O3 — CID 122258593

IUPAC3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Oc3ncc(F)cn3)C2)cc1
InChIInChI=1S/C18H21FN4O3/c1-25-15-6-4-13(5-7-15)9-22-18(24)23-8-2-3-16(12-23)26-17-20-10-14(19)11-21-17/h4-7,10-11,16H,2-3,8-9,12H2,1H3,(H,22,24)
InChIKeyHAXCYWNKCIJUPH-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.38
Rot. Bonds5

About 3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide

3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (PubChem CID 122258593) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
PubChem CID122258593
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCCC(Oc3ncc(F)cn3)C2)cc1
InChIInChI=1S/C18H21FN4O3/c1-25-15-6-4-13(5-7-15)9-22-18(24)23-8-2-3-16(12-23)26-17-20-10-14(19)11-21-17/h4-7,10-11,16H,2-3,8-9,12H2,1H3,(H,22,24)
InChIKeyHAXCYWNKCIJUPH-UHFFFAOYSA-N
XLogP2.38
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
3-(4,6-dimethylpyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 122258095
(E)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 122258555
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268321
3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122256474
3-(5-chloropyrimidin-2-yl)oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 119100545
3-(5-fluoropyrimidin-2-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 122258608
[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-(3-methoxyphenyl)methanone
CID 122258315
2-(4-tert-butylphenyl)-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122267235
1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]-2-methylpropan-1-one
CID 122258285
N-(4-chlorophenyl)-3-(5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122258569
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 122259305

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide (CID 122258593) is 3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is COc1ccc(CNC(=O)N2CCCC(Oc3ncc(F)cn3)C2)cc1.
What is the InChIKey of 3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is HAXCYWNKCIJUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-25-15-6-4-13(5-7-15)9-22-18(24)23-8-2-3-16(12-23)26-17-20-10-14(19)11-21-17/h4-7,10-11,16H,2-3,8-9,12H2,1H3,(H,22,24).
What are the key properties of 3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide?
3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropyrimidin-2-yl)oxy-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 122258593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).