4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one

C18H25N3O3 — CID 122268218

IUPAC4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one
SMILESCCc1cnc(OC2CCCN(C(=O)C3CCC(=O)CC3)C2)nc1
InChIInChI=1S/C18H25N3O3/c1-2-13-10-19-18(20-11-13)24-16-4-3-9-21(12-16)17(23)14-5-7-15(22)8-6-14/h10-11,14,16H,2-9,12H2,1H3
InChIKeyIRXPTZCUZSUHFL-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.17
Rot. Bonds4

About 4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one

4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one (PubChem CID 122268218) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one
PubChem CID122268218
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one
SMILESCCc1cnc(OC2CCCN(C(=O)C3CCC(=O)CC3)C2)nc1
InChIInChI=1S/C18H25N3O3/c1-2-13-10-19-18(20-11-13)24-16-4-3-9-21(12-16)17(23)14-5-7-15(22)8-6-14/h10-11,14,16H,2-9,12H2,1H3
InChIKeyIRXPTZCUZSUHFL-UHFFFAOYSA-N
XLogP2.17
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268290
3-(5-ethylpyrimidin-2-yl)oxy-N-pentan-3-ylpiperidine-1-carboxamide
CID 122268315
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]imidazolidin-2-one
CID 122268349
1-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-phenylethanone
CID 122268069
1-[4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]phenyl]ethanone
CID 122268269
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-pyrazin-2-ylmethanone
CID 122268128
(2,6-difluorophenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268032
3-[2-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 122268238
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(4-phenylphenyl)methanone
CID 122268048
[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 122268274
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268109
(3,4-dimethoxyphenyl)-[3-(5-ethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122268015

Frequently Asked Questions

What is the IUPAC name of 4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one?
The IUPAC name of 4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one (CID 122268218) is 4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one.
What is the SMILES notation for 4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one?
The canonical SMILES for 4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one is CCc1cnc(OC2CCCN(C(=O)C3CCC(=O)CC3)C2)nc1.
What is the InChIKey of 4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one?
The InChIKey is IRXPTZCUZSUHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-13-10-19-18(20-11-13)24-16-4-3-9-21(12-16)17(23)14-5-7-15(22)8-6-14/h10-11,14,16H,2-9,12H2,1H3.
What are the key properties of 4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one?
4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one has a molecular weight of 331.42 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carbonyl]cyclohexan-1-one is sourced from PubChem (CID 122268218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).