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

C19H30N2O2 — CID 90566288

IUPAC1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCC(Oc2ccc(C)nc2)CC1
InChIInChI=1S/C19H30N2O2/c1-4-6-16(7-5-2)19(22)21-12-10-17(11-13-21)23-18-9-8-15(3)20-14-18/h8-9,14,16-17H,4-7,10-13H2,1-3H3
InChIKeyDGEHPXFNVDWASJ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.98
Rot. Bonds7

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

1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one (PubChem CID 90566288) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one.

Molecular Properties

Compound Name1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one
PubChem CID90566288
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCC(Oc2ccc(C)nc2)CC1
InChIInChI=1S/C19H30N2O2/c1-4-6-16(7-5-2)19(22)21-12-10-17(11-13-21)23-18-9-8-15(3)20-14-18/h8-9,14,16-17H,4-7,10-13H2,1-3H3
InChIKeyDGEHPXFNVDWASJ-UHFFFAOYSA-N
XLogP3.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one
CID 90566394
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
CID 90566283
(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]-2-pyrazol-1-ylethanone
CID 90566486
2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 90566368
(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313
2-methyl-5-[(3S)-1-methylpyrrolidin-3-yl]oxypyridine
CID 153376594
(2-fluorophenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566330
(5-bromofuran-2-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566406
5-(1-butylsulfonylpiperidin-4-yl)oxy-2-methylpyridine
CID 90566569
N-(4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566506
5-[4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carbonyl]pyran-2-one
CID 90566440

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one?
The IUPAC name of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one (CID 90566288) is 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one.
What is the SMILES notation for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one?
The canonical SMILES for 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one is CCCC(CCC)C(=O)N1CCC(Oc2ccc(C)nc2)CC1.
What is the InChIKey of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one?
The InChIKey is DGEHPXFNVDWASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-6-16(7-5-2)19(22)21-12-10-17(11-13-21)23-18-9-8-15(3)20-14-18/h8-9,14,16-17H,4-7,10-13H2,1-3H3.
What are the key properties of 1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one?
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one has a molecular weight of 318.46 g/mol, XLogP of 3.98, 7 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-propylpentan-1-one is sourced from PubChem (CID 90566288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).