2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

C18H27N3O2 — CID 134555329

IUPAC2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
SMILESCC(C)c1ccc2c(n1)CCN(C(=O)CN1CCC(O)CC1)C2
InChIInChI=1S/C18H27N3O2/c1-13(2)16-4-3-14-11-21(10-7-17(14)19-16)18(23)12-20-8-5-15(22)6-9-20/h3-4,13,15,22H,5-12H2,1-2H3
InChIKeyAOEREGNHZXEYAW-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.55
Rot. Bonds3

About 2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone

2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (PubChem CID 134555329) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.

Molecular Properties

Compound Name2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
PubChem CID134555329
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
SMILESCC(C)c1ccc2c(n1)CCN(C(=O)CN1CCC(O)CC1)C2
InChIInChI=1S/C18H27N3O2/c1-13(2)16-4-3-14-11-21(10-7-17(14)19-16)18(23)12-20-8-5-15(22)6-9-20/h3-4,13,15,22H,5-12H2,1-2H3
InChIKeyAOEREGNHZXEYAW-UHFFFAOYSA-N
XLogP1.55
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 134555308
2-hydroxy-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163544536
1-(2-butan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 139539068
1-[2-[4-[(2S,4R)-4-hydroxy-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)pyrrolidin-1-yl]butan-2-yl]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-2-pyrrolidin-1-ylethanone
CID 134555323
1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 166696843
[(2R)-azetidin-2-yl]-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 134555294
(1-methylpyrrolidin-2-yl)-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)methanone
CID 142358596
2-(azepan-1-yl)-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone
CID 163339047
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 111113728
6-(oxetan-3-ylmethyl)-2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridine
CID 134555282
N,N-dimethyl-2-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanamine
CID 134555279
1-(2-ethyl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 155471367

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The IUPAC name of 2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone (CID 134555329) is 2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone.
What is the SMILES notation for 2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The canonical SMILES for 2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is CC(C)c1ccc2c(n1)CCN(C(=O)CN1CCC(O)CC1)C2.
What is the InChIKey of 2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
The InChIKey is AOEREGNHZXEYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13(2)16-4-3-14-11-21(10-7-17(14)19-16)18(23)12-20-8-5-15(22)6-9-20/h3-4,13,15,22H,5-12H2,1-2H3.
What are the key properties of 2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone?
2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone has a molecular weight of 317.43 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxypiperidin-1-yl)-1-(2-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-6-yl)ethanone is sourced from PubChem (CID 134555329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).