N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide

C20H26N4O4 — CID 121161054

IUPACN-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc(OC)c1
InChIInChI=1S/C20H26N4O4/c1-13-9-19(22-14(2)21-13)28-16-5-7-24(8-6-16)20(25)23-15-10-17(26-3)12-18(11-15)27-4/h9-12,16H,5-8H2,1-4H3,(H,23,25)
InChIKeyHAGZKALYIPJRRS-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.19
Rot. Bonds5

About N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide

N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide (PubChem CID 121161054) has the molecular formula C20H26N4O4 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
PubChem CID121161054
Molecular FormulaC20H26N4O4
Molecular Weight386.45 g/mol
Exact Mass386.20
IUPAC NameN-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc(OC)c1
InChIInChI=1S/C20H26N4O4/c1-13-9-19(22-14(2)21-13)28-16-5-7-24(8-6-16)20(25)23-15-10-17(26-3)12-18(11-15)27-4/h9-12,16H,5-8H2,1-4H3,(H,23,25)
InChIKeyHAGZKALYIPJRRS-UHFFFAOYSA-N
XLogP3.19
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-butoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161062
4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121017939
4-[(5-cyano-2-pyridinyl)oxy]-N-(3,5-dimethoxyphenyl)piperidine-1-carboxamide
CID 71799121
N-(4-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559676
4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121161053
N-(3-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559675
methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121017902
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]pentane-1,4-dione
CID 121160950
cyclohexyl-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160775
methyl 2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121160877
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 121160844
4-[(6-methyl-2-pyridinyl)oxy]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 71799611

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide (CID 121161054) is N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
The InChIKey is HAGZKALYIPJRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4/c1-13-9-19(22-14(2)21-13)28-16-5-7-24(8-6-16)20(25)23-15-10-17(26-3)12-18(11-15)27-4/h9-12,16H,5-8H2,1-4H3,(H,23,25).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide?
N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide is sourced from PubChem (CID 121161054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).