[4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone

C20H22FN3O — CID 154771017

IUPAC[4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone
SMILESO=C(c1ccc2c(n1)CCCN2)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O/c21-16-5-3-14(4-6-16)15-9-12-24(13-10-15)20(25)19-8-7-17-18(23-19)2-1-11-22-17/h3-8,15,22H,1-2,9-13H2
InChIKeyMVADNTGPMGXFGK-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.60
Rot. Bonds2

About [4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone

[4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone (PubChem CID 154771017) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone
PubChem CID154771017
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC Name[4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone
SMILESO=C(c1ccc2c(n1)CCCN2)N1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H22FN3O/c21-16-5-3-14(4-6-16)15-9-12-24(13-10-15)20(25)19-8-7-17-18(23-19)2-1-11-22-17/h3-8,15,22H,1-2,9-13H2
InChIKeyMVADNTGPMGXFGK-UHFFFAOYSA-N
XLogP3.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone (CID 154771017) is [4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone is O=C(c1ccc2c(n1)CCCN2)N1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone?
The InChIKey is MVADNTGPMGXFGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-16-5-3-14(4-6-16)15-9-12-24(13-10-15)20(25)19-8-7-17-18(23-19)2-1-11-22-17/h3-8,15,22H,1-2,9-13H2.
What are the key properties of [4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone?
[4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone has a molecular weight of 339.41 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperidin-1-yl]-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)methanone is sourced from PubChem (CID 154771017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).