3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one

C15H23N3O2 — CID 122257446

IUPAC3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one
SMILESCCC(C)CC(=O)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C15H23N3O2/c1-3-12(2)10-14(19)18-9-4-6-13(11-18)20-15-16-7-5-8-17-15/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3
InChIKeyYDTYLLBSZKRCAK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.28
Rot. Bonds5

About 3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one

3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one (PubChem CID 122257446) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one
PubChem CID122257446
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one
SMILESCCC(C)CC(=O)N1CCCC(Oc2ncccn2)C1
InChIInChI=1S/C15H23N3O2/c1-3-12(2)10-14(19)18-9-4-6-13(11-18)20-15-16-7-5-8-17-15/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3
InChIKeyYDTYLLBSZKRCAK-UHFFFAOYSA-N
XLogP2.28
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257244
2-cyclopropyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122160222
1-[3-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-3-methylpentan-1-one
CID 122260439
(2,6-difluorophenyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257276
(4-butylcyclohexyl)-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122257240
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)propan-1-one
CID 122257483
pyridin-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122243549
(3-pyrimidin-2-yloxypiperidin-1-yl)-(1H-1,2,4-triazol-5-yl)methanone
CID 122257461
2-(4-methoxy-3-methylphenyl)-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257488
2-indol-1-yl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 122257179
methyl 4-(3-pyrimidin-2-yloxypiperidine-1-carbonyl)benzoate
CID 122160936
N-(4-methylphenyl)-3-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122257519

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one?
The IUPAC name of 3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one (CID 122257446) is 3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one?
The canonical SMILES for 3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one is CCC(C)CC(=O)N1CCCC(Oc2ncccn2)C1.
What is the InChIKey of 3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one?
The InChIKey is YDTYLLBSZKRCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-12(2)10-14(19)18-9-4-6-13(11-18)20-15-16-7-5-8-17-15/h5,7-8,12-13H,3-4,6,9-11H2,1-2H3.
What are the key properties of 3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one?
3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one has a molecular weight of 277.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-pyrimidin-2-yloxypiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 122257446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).