3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

C20H26N4O6 — CID 122261579

IUPAC3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1nccc(OC2CCCN(C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)n1
InChIInChI=1S/C20H26N4O6/c1-26-15-10-13(11-16(27-2)18(15)28-3)22-20(25)24-9-5-6-14(12-24)30-17-7-8-21-19(23-17)29-4/h7-8,10-11,14H,5-6,9,12H2,1-4H3,(H,22,25)
InChIKeyWOUXIXQCECOBCN-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.59
Rot. Bonds7

About 3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 122261579) has the molecular formula C20H26N4O6 and a molecular weight of 418.45 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
PubChem CID122261579
Molecular FormulaC20H26N4O6
Molecular Weight418.45 g/mol
Exact Mass418.19
IUPAC Name3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1nccc(OC2CCCN(C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)n1
InChIInChI=1S/C20H26N4O6/c1-26-15-10-13(11-16(27-2)18(15)28-3)22-20(25)24-9-5-6-14(12-24)30-17-7-8-21-19(23-17)29-4/h7-8,10-11,14H,5-6,9,12H2,1-4H3,(H,22,25)
InChIKeyWOUXIXQCECOBCN-UHFFFAOYSA-N
XLogP2.59
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide with MolForge

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Related Compounds

3-(2-methoxypyrimidin-4-yl)oxy-N-phenylpiperidine-1-carboxamide
CID 122261563
(E)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 122261311
N-cyclohexyl-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261562
1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-2,2-dimethylpropan-1-one
CID 122261229
(3,4-dimethylphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261258
N-(3-methoxyphenyl)-3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122243652
N-[(4-methoxyphenyl)methyl]-3-(2-methoxypyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122261595
2-chloro-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 122261251
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
1-benzothiophen-2-yl-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261508
[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]-(2-methylphenyl)methanone
CID 122261254
2-cyclopentylsulfanyl-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261170

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (CID 122261579) is 3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is COc1nccc(OC2CCCN(C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)n1.
What is the InChIKey of 3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is WOUXIXQCECOBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O6/c1-26-15-10-13(11-16(27-2)18(15)28-3)22-20(25)24-9-5-6-14(12-24)30-17-7-8-21-19(23-17)29-4/h7-8,10-11,14H,5-6,9,12H2,1-4H3,(H,22,25).
What are the key properties of 3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 122261579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).