1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one

C24H28N4O3 — CID 24866869

IUPAC1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one
SMILESO=c1ccc2cccnc2n1CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H28N4O3/c29-23-6-4-19-2-1-9-25-24(19)28(23)13-12-27-10-7-20(8-11-27)26-17-18-3-5-21-22(16-18)31-15-14-30-21/h1-6,9,16,20,26H,7-8,10-15,17H2
InChIKeyUJZGYENMCSOYCD-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.42
Rot. Bonds6

About 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one

1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one (PubChem CID 24866869) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one
PubChem CID24866869
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one
SMILESO=c1ccc2cccnc2n1CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C24H28N4O3/c29-23-6-4-19-2-1-9-25-24(19)28(23)13-12-27-10-7-20(8-11-27)26-17-18-3-5-21-22(16-18)31-15-14-30-21/h1-6,9,16,20,26H,7-8,10-15,17H2
InChIKeyUJZGYENMCSOYCD-UHFFFAOYSA-N
XLogP2.42
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-8-methoxyquinolin-2-one;hydrochloride
CID 67539009
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one
CID 59398270
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-propan-2-ylquinolin-2-one
CID 59398053
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-6-propan-2-ylquinolin-2-one;hydrochloride
CID 67539574
4-amino-1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinolin-2-one
CID 59398359
tert-butyl N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-[1-[2-(2-oxo-1,8-naphthyridin-1-yl)ethyl]piperidin-4-yl]carbamate;2-(2-oxo-1,8-naphthyridin-1-yl)acetaldehyde
CID 158676727
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-4-methylquinolin-2-one
CID 59397839
methyl N-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-2-oxoquinolin-5-yl]carbamate
CID 59398005
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,8-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methyl-1,8-naphthyridin-2-one
CID 157282803
methyl N-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-2-oxoquinolin-5-yl]carbamate;hydrochloride
CID 67538034
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-1,7-naphthyridin-2-one
CID 24864198
ethyl 2-[1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-2-oxoquinolin-5-yl]oxyacetate;hydrochloride
CID 86643186

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one (CID 24866869) is 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one is O=c1ccc2cccnc2n1CCN1CCC(NCc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one?
The InChIKey is UJZGYENMCSOYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c29-23-6-4-19-2-1-9-25-24(19)28(23)13-12-27-10-7-20(8-11-27)26-17-18-3-5-21-22(16-18)31-15-14-30-21/h1-6,9,16,20,26H,7-8,10-15,17H2.
What are the key properties of 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one?
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one has a molecular weight of 420.51 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]-1,8-naphthyridin-2-one is sourced from PubChem (CID 24866869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).