2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one

C21H27N3O2 — CID 10155051

IUPAC2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
SMILESO=C(CCCN1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1
InChIInChI=1S/C21H27N3O2/c25-20(9-6-13-23-11-4-1-5-12-23)24-14-10-19-18(15-24)16-7-2-3-8-17(16)21(26)22-19/h2-3,7-8H,1,4-6,9-15H2,(H,22,26)
InChIKeyAKDIWVSXUDYBMF-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.68
Rot. Bonds4

About 2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one

2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one (PubChem CID 10155051) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one.

Molecular Properties

Compound Name2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
PubChem CID10155051
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one
SMILESO=C(CCCN1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1
InChIInChI=1S/C21H27N3O2/c25-20(9-6-13-23-11-4-1-5-12-23)24-14-10-19-18(15-24)16-7-2-3-8-17(16)21(26)22-19/h2-3,7-8H,1,4-6,9-15H2,(H,22,26)
InChIKeyAKDIWVSXUDYBMF-UHFFFAOYSA-N
XLogP2.68
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The IUPAC name of 2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one (CID 10155051) is 2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one.
What is the SMILES notation for 2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The canonical SMILES for 2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one is O=C(CCCN1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1.
What is the InChIKey of 2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
The InChIKey is AKDIWVSXUDYBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-20(9-6-13-23-11-4-1-5-12-23)24-14-10-19-18(15-24)16-7-2-3-8-17(16)21(26)22-19/h2-3,7-8H,1,4-6,9-15H2,(H,22,26).
What are the key properties of 2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one?
2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one has a molecular weight of 353.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylbutanoyl)-1,3,4,5-tetrahydrobenzo[c][1,6]naphthyridin-6-one is sourced from PubChem (CID 10155051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).