2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one

C28H37N3O2 — CID 95816006

IUPAC2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1ccc(CCN2CCc3nc(C4CCN(C5CCCCC5)CC4)ccc3C2=O)cc1
InChIInChI=1S/C28H37N3O2/c1-33-24-9-7-21(8-10-24)13-17-31-20-16-27-25(28(31)32)11-12-26(29-27)22-14-18-30(19-15-22)23-5-3-2-4-6-23/h7-12,22-23H,2-6,13-20H2,1H3
InChIKeySUIUYEJSSKIOJI-UHFFFAOYSA-N
MW447.62 g/mol
LogP4.84
Rot. Bonds6

About 2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one

2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 95816006) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is 2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID95816006
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC Name2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCOc1ccc(CCN2CCc3nc(C4CCN(C5CCCCC5)CC4)ccc3C2=O)cc1
InChIInChI=1S/C28H37N3O2/c1-33-24-9-7-21(8-10-24)13-17-31-20-16-27-25(28(31)32)11-12-26(29-27)22-14-18-30(19-15-22)23-5-3-2-4-6-23/h7-12,22-23H,2-6,13-20H2,1H3
InChIKeySUIUYEJSSKIOJI-UHFFFAOYSA-N
XLogP4.84
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 95816006) is 2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is COc1ccc(CCN2CCc3nc(C4CCN(C5CCCCC5)CC4)ccc3C2=O)cc1.
What is the InChIKey of 2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is SUIUYEJSSKIOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-33-24-9-7-21(8-10-24)13-17-31-20-16-27-25(28(31)32)11-12-26(29-27)22-14-18-30(19-15-22)23-5-3-2-4-6-23/h7-12,22-23H,2-6,13-20H2,1H3.
What are the key properties of 2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one?
2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 447.62 g/mol, XLogP of 4.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpiperidin-4-yl)-6-[2-(4-methoxyphenyl)ethyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 95816006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).