2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone

C17H18ClN3O2 — CID 121161917

IUPAC2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-14-3-1-13(2-4-14)11-17(22)21-9-6-15(7-10-21)23-16-5-8-19-12-20-16/h1-5,8,12,15H,6-7,9-11H2
InChIKeyRYTACVNDRVAIDY-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.74
Rot. Bonds4

About 2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone

2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 121161917) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
PubChem CID121161917
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc(Cl)cc1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-14-3-1-13(2-4-14)11-17(22)21-9-6-15(7-10-21)23-16-5-8-19-12-20-16/h1-5,8,12,15H,6-7,9-11H2
InChIKeyRYTACVNDRVAIDY-UHFFFAOYSA-N
XLogP2.74
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161897
2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 90559291
2-pyridin-4-ylsulfanyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121162112
3,3-diphenyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)propan-1-one
CID 121161926
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
N-methyl-N-[2-oxo-2-(4-pyrimidin-4-yloxypiperidin-1-yl)ethyl]methanesulfonamide
CID 121162017
2-(4-fluorophenyl)-1-(4-pyrazin-2-yloxypiperidin-1-yl)ethanone
CID 90559036
1-[4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 121161803
3,3-dimethyl-1-(3-pyrimidin-4-yloxypyrrolidin-1-yl)butan-1-one
CID 122160875
2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161902
oxan-4-yl-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162054

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone (CID 121161917) is 2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone is O=C(Cc1ccc(Cl)cc1)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is RYTACVNDRVAIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-14-3-1-13(2-4-14)11-17(22)21-9-6-15(7-10-21)23-16-5-8-19-12-20-16/h1-5,8,12,15H,6-7,9-11H2.
What are the key properties of 2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 331.80 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 121161917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).