1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride

C20H31Cl2FN6O — CID 68795706

IUPAC1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(N2CCC(N)CC2)n2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C20H29FN6O.2ClH/c21-14-11-18-17(24-12-14)1-2-20(28)27(18)19(26-9-5-16(23)6-10-26)13-25-7-3-15(22)4-8-25;;/h1-2,11-12,15-16,19H,3-10,13,22-23H2;2*1H
InChIKeyOAPRQXSGOVIQDN-UHFFFAOYSA-N
MW461.41 g/mol
LogP1.72
Rot. Bonds4

About 1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride

1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride (PubChem CID 68795706) has the molecular formula C20H31Cl2FN6O and a molecular weight of 461.41 g/mol. Its IUPAC name is 1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride
PubChem CID68795706
Molecular FormulaC20H31Cl2FN6O
Molecular Weight461.41 g/mol
Exact Mass460.19
IUPAC Name1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride
SMILESCl.Cl.NC1CCN(CC(N2CCC(N)CC2)n2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C20H29FN6O.2ClH/c21-14-11-18-17(24-12-14)1-2-20(28)27(18)19(26-9-5-16(23)6-10-26)13-25-7-3-15(22)4-8-25;;/h1-2,11-12,15-16,19H,3-10,13,22-23H2;2*1H
InChIKeyOAPRQXSGOVIQDN-UHFFFAOYSA-N
XLogP1.72
TPSA93.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride?
The IUPAC name of 1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride (CID 68795706) is 1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride.
What is the SMILES notation for 1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride?
The canonical SMILES for 1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride is Cl.Cl.NC1CCN(CC(N2CCC(N)CC2)n2c(=O)ccc3ncc(F)cc32)CC1.
What is the InChIKey of 1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride?
The InChIKey is OAPRQXSGOVIQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN6O.2ClH/c21-14-11-18-17(24-12-14)1-2-20(28)27(18)19(26-9-5-16(23)6-10-26)13-25-7-3-15(22)4-8-25;;/h1-2,11-12,15-16,19H,3-10,13,22-23H2;2*1H.
What are the key properties of 1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride?
1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride has a molecular weight of 461.41 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2-bis(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;dihydrochloride is sourced from PubChem (CID 68795706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).