[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone

C24H29N3O2 — CID 46183661

IUPAC[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1
InChIInChI=1S/C24H29N3O2/c28-24(18-5-2-1-3-6-18)27-16-13-22-19(17-27)9-10-23(25-22)29-21-11-14-26(15-12-21)20-7-4-8-20/h1-3,5-6,9-10,20-21H,4,7-8,11-17H2
InChIKeyOIWFEQYKBPJJDR-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.68
Rot. Bonds4

About [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone

[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone (PubChem CID 46183661) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone
PubChem CID46183661
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1
InChIInChI=1S/C24H29N3O2/c28-24(18-5-2-1-3-6-18)27-16-13-22-19(17-27)9-10-23(25-22)29-21-11-14-26(15-12-21)20-7-4-8-20/h1-3,5-6,9-10,20-21H,4,7-8,11-17H2
InChIKeyOIWFEQYKBPJJDR-UHFFFAOYSA-N
XLogP3.68
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone
CID 46183912
2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 66885650
1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone
CID 46184138
tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 46853880
(E)-but-2-enedioic acid;2-(1-cyclobutylpiperidin-4-yl)oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one
CID 46194083
(1-cyclobutylpiperidin-4-yl) benzoate
CID 174573868
[4-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]piperidin-1-yl]-(4-phenylphenyl)methanone
CID 68502756
(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-(3-methylphenyl)methanone
CID 91907650
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
[2-[(2R)-1-methylpyrrolidin-2-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
CID 92608142
phenyl-(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 92574070
2-(2-cyclobutyloxypyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxylic acid
CID 120535066

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone?
The IUPAC name of [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone (CID 46183661) is [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone.
What is the SMILES notation for [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone?
The canonical SMILES for [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone is O=C(c1ccccc1)N1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1.
What is the InChIKey of [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone?
The InChIKey is OIWFEQYKBPJJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c28-24(18-5-2-1-3-6-18)27-16-13-22-19(17-27)9-10-23(25-22)29-21-11-14-26(15-12-21)20-7-4-8-20/h1-3,5-6,9-10,20-21H,4,7-8,11-17H2.
What are the key properties of [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone?
[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone has a molecular weight of 391.52 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone is sourced from PubChem (CID 46183661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).