1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

C40H51N9O7 — CID 158471847

IUPAC1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(N)CC3)c2c1.COc1cnc2ccc(=O)n(CCN3CCC(NCc4cc5c(c[n+]4[O-])OCCO5)CC3)c2c1
InChIInChI=1S/C24H29N5O5.C16H22N4O2/c1-32-19-13-21-20(26-15-19)2-3-24(30)28(21)9-8-27-6-4-17(5-7-27)25-14-18-12-22-23(16-29(18)31)34-11-10-33-22;1-22-13-10-15-14(18-11-13)2-3-16(21)20(15)9-8-19-6-4-12(17)5-7-19/h2-3,12-13,15-17,25H,4-11,14H2,1H3;2-3,10-12H,4-9,17H2,1H3
InChIKeyHGLDSFZFUBMOSX-UHFFFAOYSA-N
MW769.90 g/mol
LogP1.89
Rot. Bonds11

About 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one

1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (PubChem CID 158471847) has the molecular formula C40H51N9O7 and a molecular weight of 769.90 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
PubChem CID158471847
Molecular FormulaC40H51N9O7
Molecular Weight769.90 g/mol
Exact Mass769.39
IUPAC Name1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(N)CC3)c2c1.COc1cnc2ccc(=O)n(CCN3CCC(NCc4cc5c(c[n+]4[O-])OCCO5)CC3)c2c1
InChIInChI=1S/C24H29N5O5.C16H22N4O2/c1-32-19-13-21-20(26-15-19)2-3-24(30)28(21)9-8-27-6-4-17(5-7-27)25-14-18-12-22-23(16-29(18)31)34-11-10-33-22;1-22-13-10-15-14(18-11-13)2-3-16(21)20(15)9-8-19-6-4-12(17)5-7-19/h2-3,12-13,15-17,25H,4-11,14H2,1H3;2-3,10-12H,4-9,17H2,1H3
InChIKeyHGLDSFZFUBMOSX-UHFFFAOYSA-N
XLogP1.89
TPSA178.17 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.90
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one with MolForge

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Related Compounds

1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68854977
1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68856388
1-[2-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68853701
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 159025223
1-[2-[4-[(4-amino-3-fluorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 143586098
1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-methoxyquinolin-2-one
CID 11983362
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride
CID 67498576
2-fluoro-5-[[[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]amino]methyl]benzonitrile
CID 68735240
1-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]ethyl]quinoxalin-2-one
CID 59398270
1-[2-[(2S)-2-[(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino)methyl]morpholin-4-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 25032544
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one (CID 158471847) is 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CCC(N)CC3)c2c1.COc1cnc2ccc(=O)n(CCN3CCC(NCc4cc5c(c[n+]4[O-])OCCO5)CC3)c2c1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
The InChIKey is HGLDSFZFUBMOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O5.C16H22N4O2/c1-32-19-13-21-20(26-15-19)2-3-24(30)28(21)9-8-27-6-4-17(5-7-27)25-14-18-12-22-23(16-29(18)31)34-11-10-33-22;1-22-13-10-15-14(18-11-13)2-3-16(21)20(15)9-8-19-6-4-12(17)5-7-19/h2-3,12-13,15-17,25H,4-11,14H2,1H3;2-3,10-12H,4-9,17H2,1H3.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one?
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one has a molecular weight of 769.90 g/mol, XLogP of 1.89, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one is sourced from PubChem (CID 158471847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).