1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride

C23H27Cl3N4O2 — CID 68856388

IUPAC1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(Cl)c(Cl)c4)CC3)c2c1.Cl
InChIInChI=1S/C23H26Cl2N4O2.ClH/c1-31-18-13-22-21(27-15-18)4-5-23(30)29(22)11-10-28-8-6-17(7-9-28)26-14-16-2-3-19(24)20(25)12-16;/h2-5,12-13,15,17,26H,6-11,14H2,1H3;1H
InChIKeyVJRBUGCACVKLKH-UHFFFAOYSA-N
MW497.85 g/mol
LogP4.39
Rot. Bonds7

About 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride

1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride (PubChem CID 68856388) has the molecular formula C23H27Cl3N4O2 and a molecular weight of 497.85 g/mol. Its IUPAC name is 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
PubChem CID68856388
Molecular FormulaC23H27Cl3N4O2
Molecular Weight497.85 g/mol
Exact Mass496.12
IUPAC Name1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(Cl)c(Cl)c4)CC3)c2c1.Cl
InChIInChI=1S/C23H26Cl2N4O2.ClH/c1-31-18-13-22-21(27-15-18)4-5-23(30)29(22)11-10-28-8-6-17(7-9-28)26-14-16-2-3-19(24)20(25)12-16;/h2-5,12-13,15,17,26H,6-11,14H2,1H3;1H
InChIKeyVJRBUGCACVKLKH-UHFFFAOYSA-N
XLogP4.39
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.85
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[4-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68853701
1-[2-[4-[(4-amino-3-fluorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
CID 143586098
1-[2-[4-[(4-chloro-3-nitrophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 130210982
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-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68854977
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
1-[2-[4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one;hydrochloride
CID 67538574
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
CID 162093897
6-[[[1-[2-(7-methoxy-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-1,4-benzoxazin-3-one
CID 59398425
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67538741
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
1-[2-[(3S,4R)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;dihydrochloride
CID 67498576

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride?
The IUPAC name of 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride (CID 68856388) is 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride.
What is the SMILES notation for 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride?
The canonical SMILES for 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride is COc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(Cl)c(Cl)c4)CC3)c2c1.Cl.
What is the InChIKey of 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride?
The InChIKey is VJRBUGCACVKLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2.ClH/c1-31-18-13-22-21(27-15-18)4-5-23(30)29(22)11-10-28-8-6-17(7-9-28)26-14-16-2-3-19(24)20(25)12-16;/h2-5,12-13,15,17,26H,6-11,14H2,1H3;1H.
What are the key properties of 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride?
1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride has a molecular weight of 497.85 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride is sourced from PubChem (CID 68856388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).