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

C18H22N4O3 — CID 121162729

IUPACN-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(Oc2ccnc(C)n2)CC1
InChIInChI=1S/C18H22N4O3/c1-13-19-10-7-17(20-13)25-14-8-11-22(12-9-14)18(23)21-15-5-3-4-6-16(15)24-2/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyDQDGMJAQBWOLJR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.87
Rot. Bonds4

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

N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 121162729) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID121162729
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC(Oc2ccnc(C)n2)CC1
InChIInChI=1S/C18H22N4O3/c1-13-19-10-7-17(20-13)25-14-8-11-22(12-9-14)18(23)21-15-5-3-4-6-16(15)24-2/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,21,23)
InChIKeyDQDGMJAQBWOLJR-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

N-(2-methoxyphenyl)-4-pyrazin-2-yloxypiperidine-1-carboxamide
CID 90559095
N-(2-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566508
4-(2-methoxypyrimidin-4-yl)oxy-N-naphthalen-1-ylpiperidine-1-carboxamide
CID 121161619
N-(3,4-dichlorophenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162726
N-(2-methoxyphenyl)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90638861
N-(2-chlorophenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261023
N-(4-butoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121162767
[3-(2-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162591
2-methoxy-1-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 121162400
(3,5-dimethoxyphenyl)-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121162428
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 90639772
N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122243652

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide (CID 121162729) is N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC(Oc2ccnc(C)n2)CC1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is DQDGMJAQBWOLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-13-19-10-7-17(20-13)25-14-8-11-22(12-9-14)18(23)21-15-5-3-4-6-16(15)24-2/h3-7,10,14H,8-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
N-(2-methoxyphenyl)-4-(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-(2-methoxyphenyl)-4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 121162729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).