(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone

C15H22N2O3 — CID 110932062

IUPAC(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone
SMILESCC(C)COc1ncccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-14-13(6-3-7-16-14)15(19)17-8-4-5-12(18)9-17/h3,6-7,11-12,18H,4-5,8-10H2,1-2H3
InChIKeyWBJSVYNAWJGXQD-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.71
Rot. Bonds4

About (3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone

(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone (PubChem CID 110932062) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone
PubChem CID110932062
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone
SMILESCC(C)COc1ncccc1C(=O)N1CCCC(O)C1
InChIInChI=1S/C15H22N2O3/c1-11(2)10-20-14-13(6-3-7-16-14)15(19)17-8-4-5-12(18)9-17/h3,6-7,11-12,18H,4-5,8-10H2,1-2H3
InChIKeyWBJSVYNAWJGXQD-UHFFFAOYSA-N
XLogP1.71
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[1-[2-(2-methylpropoxy)pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 126798032
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
[2-(2-methylpropoxy)-3-pyridinyl]-(4,6,7,8-tetrahydrofuro[3,2-c]azepin-5-yl)methanone
CID 126808666
(2-hydrazinyl-3-pyridinyl)-(3-hydroxypiperidin-1-yl)methanone
CID 62249880
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
[2-(2-methylpropoxy)-3-pyridinyl]-[4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 126810773
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
[2-(cyclohexylmethylsulfanyl)-3-pyridinyl]-(3-hydroxypiperidin-1-yl)methanone
CID 111375863
[3-(methylamino)piperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone;dihydrochloride
CID 119493478
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940
(2-ethoxy-3-pyridinyl)-(3-phenylazepan-1-yl)methanone
CID 121146196
(3-hydroxypiperidin-1-yl)-[2-(propan-2-ylamino)phenyl]methanone
CID 63107682

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone (CID 110932062) is (3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone is CC(C)COc1ncccc1C(=O)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone?
The InChIKey is WBJSVYNAWJGXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)10-20-14-13(6-3-7-16-14)15(19)17-8-4-5-12(18)9-17/h3,6-7,11-12,18H,4-5,8-10H2,1-2H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone?
(3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone has a molecular weight of 278.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[2-(2-methylpropoxy)-3-pyridinyl]methanone is sourced from PubChem (CID 110932062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).