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

C23H26Cl2N4O2 — CID 58579325

IUPAC1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(Cl)c(Cl)c4)CC3)c2c1
InChIInChI=1S/C23H26Cl2N4O2/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
InChIKeyKVGSIEKQTSJHLC-UHFFFAOYSA-N
MW461.39 g/mol
LogP3.97
Rot. Bonds7

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

1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (PubChem CID 58579325) has the molecular formula C23H26Cl2N4O2 and a molecular weight of 461.39 g/mol. Its IUPAC name is 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
PubChem CID58579325
Molecular FormulaC23H26Cl2N4O2
Molecular Weight461.39 g/mol
Exact Mass460.14
IUPAC Name1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(Cl)c(Cl)c4)CC3)c2c1
InChIInChI=1S/C23H26Cl2N4O2/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
InChIKeyKVGSIEKQTSJHLC-UHFFFAOYSA-N
XLogP3.97
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.39
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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?
The IUPAC name of 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one (CID 58579325) is 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one is COc1cnc2ccc(=O)n(CCN3CCC(NCc4ccc(Cl)c(Cl)c4)CC3)c2c1.
What is the InChIKey of 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
The InChIKey is KVGSIEKQTSJHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O2/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.
What are the key properties of 1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one?
1-[2-[4-[(3,4-dichlorophenyl)methylamino]piperidin-1-yl]ethyl]-7-methoxy-1,5-naphthyridin-2-one has a molecular weight of 461.39 g/mol, XLogP of 3.97, 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 is sourced from PubChem (CID 58579325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).