[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate

C19H21N3O4 — CID 122260909

IUPAC[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2CCCC(Oc3ccnc(C)n3)C2)cc1
InChIInChI=1S/C19H21N3O4/c1-13-20-10-9-18(21-13)26-17-4-3-11-22(12-17)19(24)15-5-7-16(8-6-15)25-14(2)23/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyRJFULXQZTPLMJU-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.39
Rot. Bonds4

About [4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate

[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate (PubChem CID 122260909) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is [4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate
PubChem CID122260909
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(C(=O)N2CCCC(Oc3ccnc(C)n3)C2)cc1
InChIInChI=1S/C19H21N3O4/c1-13-20-10-9-18(21-13)26-17-4-3-11-22(12-17)19(24)15-5-7-16(8-6-15)25-14(2)23/h5-10,17H,3-4,11-12H2,1-2H3
InChIKeyRJFULXQZTPLMJU-UHFFFAOYSA-N
XLogP2.39
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 122260897
[4-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidine-1-carbonyl]phenyl] acetate
CID 122267598
(4-ethoxyphenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261264
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyridin-2-ylmethanone
CID 122260869
[2-methyl-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-1-oxopropan-2-yl] acetate
CID 122260957
[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122260865
2-chloro-1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122260729
(2,4-difluorophenyl)-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260843
1-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-2-propylpentan-1-one
CID 122260717
(4-bromophenyl)-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122261283
1H-indol-2-yl-[3-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
CID 122260670
[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121162565

Frequently Asked Questions

What is the IUPAC name of [4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate?
The IUPAC name of [4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate (CID 122260909) is [4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate.
What is the SMILES notation for [4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate?
The canonical SMILES for [4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate is CC(=O)Oc1ccc(C(=O)N2CCCC(Oc3ccnc(C)n3)C2)cc1.
What is the InChIKey of [4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate?
The InChIKey is RJFULXQZTPLMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-13-20-10-9-18(21-13)26-17-4-3-11-22(12-17)19(24)15-5-7-16(8-6-15)25-14(2)23/h5-10,17H,3-4,11-12H2,1-2H3.
What are the key properties of [4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate?
[4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate has a molecular weight of 355.39 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]phenyl] acetate is sourced from PubChem (CID 122260909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).