2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one

C23H35N3O3 — CID 46194751

IUPAC2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOCC(C)(C)CN1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1=O
InChIInChI=1S/C23H35N3O3/c1-23(2,16-28-3)15-26-14-11-20-19(22(26)27)7-8-21(24-20)29-18-9-12-25(13-10-18)17-5-4-6-17/h7-8,17-18H,4-6,9-16H2,1-3H3
InChIKeyQKSXKOIUTFMDDN-UHFFFAOYSA-N
MW401.55 g/mol
LogP3.15
Rot. Bonds7

About 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one

2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 46194751) has the molecular formula C23H35N3O3 and a molecular weight of 401.55 g/mol. Its IUPAC name is 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID46194751
Molecular FormulaC23H35N3O3
Molecular Weight401.55 g/mol
Exact Mass401.27
IUPAC Name2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOCC(C)(C)CN1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1=O
InChIInChI=1S/C23H35N3O3/c1-23(2,16-28-3)15-26-14-11-20-19(22(26)27)7-8-21(24-20)29-18-9-12-25(13-10-18)17-5-4-6-17/h7-8,17-18H,4-6,9-16H2,1-3H3
InChIKeyQKSXKOIUTFMDDN-UHFFFAOYSA-N
XLogP3.15
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.55
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-but-2-enedioic acid;2-(1-cyclobutylpiperidin-4-yl)oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one
CID 46194083
2-(1-cyclobutylpiperidin-4-yl)oxy-6-(oxan-4-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one
CID 46194210
2-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-6-ethyl-7,8-dihydro-1,6-naphthyridin-5-one
CID 46194476
tert-butyl 2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
CID 46853880
1-[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2,2,2-trifluoroethanone
CID 46184138
[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-phenylmethanone
CID 46183661
2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
CID 95816006
2-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxy-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
CID 66885650
[2-(1-cyclobutylpiperidin-4-yl)oxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-(2-fluorophenyl)methanone
CID 46183912
2-methoxy-6-(1,2-oxazol-5-ylmethyl)-7,8-dihydro-1,6-naphthyridin-5-one
CID 171922458
(E)-3-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-1-piperidin-1-ylprop-2-en-1-one
CID 73295363
3-(1-methylpiperidin-4-yl)oxy-6,9,10,11,12,12a-hexahydro-5H-azepino[2,1-f][1,6]naphthyridin-8-one
CID 143871011

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one (CID 46194751) is 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one is COCC(C)(C)CN1CCc2nc(OC3CCN(C4CCC4)CC3)ccc2C1=O.
What is the InChIKey of 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is QKSXKOIUTFMDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3/c1-23(2,16-28-3)15-26-14-11-20-19(22(26)27)7-8-21(24-20)29-18-9-12-25(13-10-18)17-5-4-6-17/h7-8,17-18H,4-6,9-16H2,1-3H3.
What are the key properties of 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one?
2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 401.55 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclobutylpiperidin-4-yl)oxy-6-(3-methoxy-2,2-dimethylpropyl)-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 46194751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).