5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride

C18H20Cl2N4O3 — CID 68914756

IUPAC5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride
SMILESCl.Cl.O=C(Cn1c(=O)c2ccncc2c2c(=O)[nH]ccc21)C1CCNCC1
InChIInChI=1S/C18H18N4O3.2ClH/c23-15(11-1-5-19-6-2-11)10-22-14-4-8-21-17(24)16(14)13-9-20-7-3-12(13)18(22)25;;/h3-4,7-9,11,19H,1-2,5-6,10H2,(H,21,24);2*1H
InChIKeyIIOUAFLDPRRZMP-UHFFFAOYSA-N
MW411.29 g/mol
LogP1.65
Rot. Bonds3

About 5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride

5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride (PubChem CID 68914756) has the molecular formula C18H20Cl2N4O3 and a molecular weight of 411.29 g/mol. Its IUPAC name is 5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride.

Molecular Properties

Compound Name5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride
PubChem CID68914756
Molecular FormulaC18H20Cl2N4O3
Molecular Weight411.29 g/mol
Exact Mass410.09
IUPAC Name5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride
SMILESCl.Cl.O=C(Cn1c(=O)c2ccncc2c2c(=O)[nH]ccc21)C1CCNCC1
InChIInChI=1S/C18H18N4O3.2ClH/c23-15(11-1-5-19-6-2-11)10-22-14-4-8-21-17(24)16(14)13-9-20-7-3-12(13)18(22)25;;/h3-4,7-9,11,19H,1-2,5-6,10H2,(H,21,24);2*1H
InChIKeyIIOUAFLDPRRZMP-UHFFFAOYSA-N
XLogP1.65
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,1,1,4,4,4-hexafluorobutane-2,3-dione;4-piperidin-4-yl-2,5,10,15-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,16-heptaen-14-one
CID 161463609
4-(4-hydroxycyclohexyl)-2,5,10,15-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,16-heptaen-14-one
CID 135475893
1-piperidin-4-yl-2-pyridin-3-ylethanone
CID 83687076
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
pyrazin-2-yl(pyrrolidin-3-yl)methanone
CID 116568351
1-piperidin-4-yl-2-(2-pyridin-3-ylphenyl)ethanone
CID 22248581
pyridin-4-yl(pyrrolidin-3-yl)methanone;dihydrochloride
CID 91623851
2-(4-phenylpiperidin-1-yl)-1-piperidin-4-ylethanone
CID 67794190
1-methyl-3-(piperidin-4-ylmethyl)pyrrolo[2,3-c]pyridine
CID 84692955
(4-amino-3-pyridinyl)-piperidin-4-ylmethanone
CID 116547555
2-(4-amino-3-pyridinyl)-1-pyrrolidin-3-ylethanone
CID 116568289
6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
CID 67416123

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride?
The IUPAC name of 5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride (CID 68914756) is 5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride.
What is the SMILES notation for 5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride?
The canonical SMILES for 5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride is Cl.Cl.O=C(Cn1c(=O)c2ccncc2c2c(=O)[nH]ccc21)C1CCNCC1.
What is the InChIKey of 5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride?
The InChIKey is IIOUAFLDPRRZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3.2ClH/c23-15(11-1-5-19-6-2-11)10-22-14-4-8-21-17(24)16(14)13-9-20-7-3-12(13)18(22)25;;/h3-4,7-9,11,19H,1-2,5-6,10H2,(H,21,24);2*1H.
What are the key properties of 5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride?
5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride has a molecular weight of 411.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxo-2-piperidin-4-ylethyl)-2H-pyrido[4,3-c][1,6]naphthyridine-1,6-dione;dihydrochloride is sourced from PubChem (CID 68914756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).