3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one

C24H26ClN3O2 — CID 12991192

IUPAC3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(C2CCN(C(C)=O)CC2)c(-c2cccc(Cl)c2)c2ccc(C)nc21
InChIInChI=1S/C24H26ClN3O2/c1-4-28-23-20(9-8-15(2)26-23)21(18-6-5-7-19(25)14-18)22(24(28)30)17-10-12-27(13-11-17)16(3)29/h5-9,14,17H,4,10-13H2,1-3H3
InChIKeyGLAUTRODGPXSSD-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.77
Rot. Bonds3

About 3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one

3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one (PubChem CID 12991192) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one
PubChem CID12991192
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(C2CCN(C(C)=O)CC2)c(-c2cccc(Cl)c2)c2ccc(C)nc21
InChIInChI=1S/C24H26ClN3O2/c1-4-28-23-20(9-8-15(2)26-23)21(18-6-5-7-19(25)14-18)22(24(28)30)17-10-12-27(13-11-17)16(3)29/h5-9,14,17H,4,10-13H2,1-3H3
InChIKeyGLAUTRODGPXSSD-UHFFFAOYSA-N
XLogP4.77
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one (CID 12991192) is 3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one is CCn1c(=O)c(C2CCN(C(C)=O)CC2)c(-c2cccc(Cl)c2)c2ccc(C)nc21.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one?
The InChIKey is GLAUTRODGPXSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-4-28-23-20(9-8-15(2)26-23)21(18-6-5-7-19(25)14-18)22(24(28)30)17-10-12-27(13-11-17)16(3)29/h5-9,14,17H,4,10-13H2,1-3H3.
What are the key properties of 3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one?
3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one has a molecular weight of 423.94 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 12991192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).