1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one

C21H26N2O2 — CID 90566394

IUPAC1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCC(Oc2ccc(C)nc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-20(17-7-5-4-6-8-17)21(24)23-13-11-18(12-14-23)25-19-10-9-16(2)22-15-19/h4-10,15,18,20H,3,11-14H2,1-2H3
InChIKeyMCMRXEDQURYSMM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.95
Rot. Bonds5

About 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one

1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one (PubChem CID 90566394) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one
PubChem CID90566394
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one
SMILESCCC(C(=O)N1CCC(Oc2ccc(C)nc2)CC1)c1ccccc1
InChIInChI=1S/C21H26N2O2/c1-3-20(17-7-5-4-6-8-17)21(24)23-13-11-18(12-14-23)25-19-10-9-16(2)22-15-19/h4-10,15,18,20H,3,11-14H2,1-2H3
InChIKeyMCMRXEDQURYSMM-UHFFFAOYSA-N
XLogP3.95
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
CID 97427079
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one
CID 90566288
2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 71799224
(2S)-2-amino-3-methyl-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]butan-1-one;dihydrochloride
CID 67529006
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
CID 90566283
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 90566486
(2-fluorophenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566330
(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566437
2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 90566368
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
N-methyl-1-(2-phenylbutanoyl)piperidine-4-carboxamide
CID 43064111

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one?
The IUPAC name of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one (CID 90566394) is 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one.
What is the SMILES notation for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one?
The canonical SMILES for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one is CCC(C(=O)N1CCC(Oc2ccc(C)nc2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one?
The InChIKey is MCMRXEDQURYSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-20(17-7-5-4-6-8-17)21(24)23-13-11-18(12-14-23)25-19-10-9-16(2)22-15-19/h4-10,15,18,20H,3,11-14H2,1-2H3.
What are the key properties of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one?
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one has a molecular weight of 338.45 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 90566394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).