7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one

C22H26N4O2 — CID 22124851

IUPAC7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one
SMILESCC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)cc21
InChIInChI=1S/C22H26N4O2/c1-15(2)26-20-13-21(23-14-16(20)3-8-22(26)28)24-17-4-6-18(7-5-17)25-11-9-19(27)10-12-25/h3-8,13-15,19,27H,9-12H2,1-2H3,(H,23,24)
InChIKeyHDXCJAHMYMSHTH-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.68
Rot. Bonds4

About 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one

7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one (PubChem CID 22124851) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one
PubChem CID22124851
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one
SMILESCC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)cc21
InChIInChI=1S/C22H26N4O2/c1-15(2)26-20-13-21(23-14-16(20)3-8-22(26)28)24-17-4-6-18(7-5-17)25-11-9-19(27)10-12-25/h3-8,13-15,19,27H,9-12H2,1-2H3,(H,23,24)
InChIKeyHDXCJAHMYMSHTH-UHFFFAOYSA-N
XLogP3.68
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-propan-2-yl-7-(4-pyrrolidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124675
1-methyl-7-(4-piperidin-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124727
1-cyclobutyl-7-[4-(4-methylpiperazin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 46701507
1-cyclopentyl-7-(4-morpholin-4-ylanilino)-1,6-naphthyridin-2-one
CID 46701508
1-cyclopentyl-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 22124688
1-ethyl-7-[4-[3-(hydroxymethyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
CID 22124798
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-methyl-3,4-dihydro-1,6-naphthyridin-2-one
CID 22124813
7-[4-[4-(dimethylamino)piperidin-1-yl]anilino]-1-methylpyrido[4,3-d]pyrimidin-2-one
CID 70209396
1-(2-bicyclo[2.2.1]heptanyl)-3-fluoro-7-[4-(4-hydroxypiperidin-1-yl)anilino]-1,6-naphthyridin-2-one
CID 22124642
1-(2-bicyclo[2.2.1]heptanyl)-7-[4-[4-(3-hydroxypropyl)piperidin-1-yl]anilino]-1,6-naphthyridin-2-one
CID 22124548
1-cyclopentyl-7-(4-pyrazol-1-ylanilino)-1,6-naphthyridin-2-one
CID 22124690
7-[4-(4-methylpiperazin-1-yl)anilino]-1-(pyridin-4-ylmethyl)pyrido[4,3-d]pyrimidin-2-one
CID 68859807

Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one?
The IUPAC name of 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one (CID 22124851) is 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one.
What is the SMILES notation for 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one?
The canonical SMILES for 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one is CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CCC(O)CC4)cc3)cc21.
What is the InChIKey of 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one?
The InChIKey is HDXCJAHMYMSHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(2)26-20-13-21(23-14-16(20)3-8-22(26)28)24-17-4-6-18(7-5-17)25-11-9-19(27)10-12-25/h3-8,13-15,19,27H,9-12H2,1-2H3,(H,23,24).
What are the key properties of 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one?
7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one has a molecular weight of 378.48 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-hydroxypiperidin-1-yl)anilino]-1-propan-2-yl-1,6-naphthyridin-2-one is sourced from PubChem (CID 22124851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).