2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone

C17H25N3O2 — CID 122259749

IUPAC2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C17H25N3O2/c21-17(11-14-5-2-1-3-6-14)20-10-4-7-15(12-20)22-16-8-9-18-13-19-16/h8-9,13-15H,1-7,10-12H2
InChIKeyPGBITTYRCIGAIB-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.82
Rot. Bonds4

About 2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone

2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 122259749) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
PubChem CID122259749
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(CC1CCCCC1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C17H25N3O2/c21-17(11-14-5-2-1-3-6-14)20-10-4-7-15(12-20)22-16-8-9-18-13-19-16/h8-9,13-15H,1-7,10-12H2
InChIKeyPGBITTYRCIGAIB-UHFFFAOYSA-N
XLogP2.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260044
2-cyclopentyl-1-[(3S)-3-pyridazin-3-yloxypiperidin-1-yl]ethanone
CID 100638394
2-(2-methylphenoxy)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161052
5-phenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)pentan-1-one
CID 122259960
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170
N-propyl-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260053
2-(benzimidazol-1-yl)-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161041
3-chloro-2,2-dimethyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 122259763
N-(2-methoxyethyl)-3-pyrimidin-4-yloxypiperidine-1-carboxamide
CID 122260046
2-cyclohexyl-1-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]ethanone
CID 122258293
3,3-dimethyl-1-(3-pyrimidin-4-yloxypyrrolidin-1-yl)butan-1-one
CID 122160875
2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122160222

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone (CID 122259749) is 2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone is O=C(CC1CCCCC1)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is PGBITTYRCIGAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-17(11-14-5-2-1-3-6-14)20-10-4-7-15(12-20)22-16-8-9-18-13-19-16/h8-9,13-15H,1-7,10-12H2.
What are the key properties of 2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 303.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 122259749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).