methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate

C20H23N3O4 — CID 121017902

IUPACmethyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-13-12-18(22-14(2)21-13)27-17-8-10-23(11-9-17)19(24)15-4-6-16(7-5-15)20(25)26-3/h4-7,12,17H,8-11H2,1-3H3
InChIKeyYXJJNXGTYZESAN-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.56
Rot. Bonds4

About methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate

methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate (PubChem CID 121017902) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
PubChem CID121017902
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namemethyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc1
InChIInChI=1S/C20H23N3O4/c1-13-12-18(22-14(2)21-13)27-17-8-10-23(11-9-17)19(24)15-4-6-16(7-5-15)20(25)26-3/h4-7,12,17H,8-11H2,1-3H3
InChIKeyYXJJNXGTYZESAN-UHFFFAOYSA-N
XLogP2.56
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate with MolForge

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Related Compounds

(4-tert-butylphenyl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 121160794
methyl 2-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate
CID 121160877
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 121160983
(5-bromofuran-2-yl)-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 119100656
[3-(2,6-dimethylpyrimidin-4-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 126852395
(4-chlorophenyl)-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260264
[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-4-ylmethanone
CID 122260367
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 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 121156265
N-(3,5-dimethoxyphenyl)-4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 121161054
[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-(oxolan-3-yl)methanone
CID 121160979

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate?
The IUPAC name of methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate (CID 121017902) is methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate.
What is the SMILES notation for methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate?
The canonical SMILES for methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate is COC(=O)c1ccc(C(=O)N2CCC(Oc3cc(C)nc(C)n3)CC2)cc1.
What is the InChIKey of methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate?
The InChIKey is YXJJNXGTYZESAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-12-18(22-14(2)21-13)27-17-8-10-23(11-9-17)19(24)15-4-6-16(7-5-15)20(25)26-3/h4-7,12,17H,8-11H2,1-3H3.
What are the key properties of methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate?
methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate has a molecular weight of 369.42 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carbonyl]benzoate is sourced from PubChem (CID 121017902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).