N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide

C18H22N4O3 — CID 122243652

IUPACN-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(Oc3ccnc(C)n3)C2)c1
InChIInChI=1S/C18H22N4O3/c1-13-19-9-8-17(20-13)25-16-7-4-10-22(12-16)18(23)21-14-5-3-6-15(11-14)24-2/h3,5-6,8-9,11,16H,4,7,10,12H2,1-2H3,(H,21,23)
InChIKeyUMXHMVVUJUIDFM-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.87
Rot. Bonds4

About N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide

N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 122243652) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID122243652
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCC(Oc3ccnc(C)n3)C2)c1
InChIInChI=1S/C18H22N4O3/c1-13-19-9-8-17(20-13)25-16-7-4-10-22(12-16)18(23)21-14-5-3-6-15(11-14)24-2/h3,5-6,8-9,11,16H,4,7,10,12H2,1-2H3,(H,21,23)
InChIKeyUMXHMVVUJUIDFM-UHFFFAOYSA-N
XLogP2.87
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
3-(5-bromopyrimidin-2-yl)oxy-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 122259079
N-(3-methoxyphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639316
N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261023
3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 122261579
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
N-(3,5-dimethoxyphenyl)-3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carboxamide
CID 122267746
N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162726
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865
(2,4-difluorophenyl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260843

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide (CID 122243652) is N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide is COc1cccc(NC(=O)N2CCCC(Oc3ccnc(C)n3)C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is UMXHMVVUJUIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-19-9-8-17(20-13)25-16-7-4-10-22(12-16)18(23)21-14-5-3-6-15(11-14)24-2/h3,5-6,8-9,11,16H,4,7,10,12H2,1-2H3,(H,21,23).
What are the key properties of N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 122243652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).