1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one

C48H58F2N8O2 — CID 162093897

IUPAC1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
SMILESCc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(C)c(F)c4)CC3)c2c1.Cc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(C)c(F)c4)CC3)c2c1
InChIInChI=1S/2C24H29FN4O/c2*1-17-13-23-22(27-15-17)5-6-24(30)29(23)12-11-28-9-7-20(8-10-28)26-16-19-4-3-18(2)21(25)14-19/h2*3-6,13-15,20,26H,7-12,16H2,1-2H3
InChIKeyZDZFFBFZRGIRPQ-UHFFFAOYSA-N
MW817.04 g/mol
LogP6.81
Rot. Bonds12

About 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one

1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one (PubChem CID 162093897) has the molecular formula C48H58F2N8O2 and a molecular weight of 817.04 g/mol. Its IUPAC name is 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
PubChem CID162093897
Molecular FormulaC48H58F2N8O2
Molecular Weight817.04 g/mol
Exact Mass816.47
IUPAC Name1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one
SMILESCc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(C)c(F)c4)CC3)c2c1.Cc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(C)c(F)c4)CC3)c2c1
InChIInChI=1S/2C24H29FN4O/c2*1-17-13-23-22(27-15-17)5-6-24(30)29(23)12-11-28-9-7-20(8-10-28)26-16-19-4-3-18(2)21(25)14-19/h2*3-6,13-15,20,26H,7-12,16H2,1-2H3
InChIKeyZDZFFBFZRGIRPQ-UHFFFAOYSA-N
XLogP6.81
TPSA100.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.04
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one;methane
CID 159261184
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-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-fluoroquinoxalin-2-one;hydrochloride
CID 67538741
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-[(4-chlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68853701
1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one;hydrochloride
CID 68856388
bis(1-[2-[4-[(5-ethyl-4-methoxy-2-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one);methane
CID 160975036
1-[2-[4-[(2-bromo-1,3-thiazol-5-yl)methylamino]piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 68854843
1-[2-[4-[(4-ethylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxyquinoxalin-2-one
CID 59398079
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-N-methyl-2-oxoquinoline-4-carboxamide
CID 59398436
6-[[[1-[2-(7-methyl-2-oxoquinoxalin-1-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrano[2,3-b]pyridin-3-one
CID 159628286
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one (CID 162093897) is 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one is Cc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(C)c(F)c4)CC3)c2c1.Cc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(C)c(F)c4)CC3)c2c1.
What is the InChIKey of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
The InChIKey is ZDZFFBFZRGIRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H29FN4O/c2*1-17-13-23-22(27-15-17)5-6-24(30)29(23)12-11-28-9-7-20(8-10-28)26-16-19-4-3-18(2)21(25)14-19/h2*3-6,13-15,20,26H,7-12,16H2,1-2H3.
What are the key properties of 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one?
1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one has a molecular weight of 817.04 g/mol, XLogP of 6.81, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(3-fluoro-4-methylphenyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one is sourced from PubChem (CID 162093897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).