3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one

C20H25N3O3 — CID 10132875

IUPAC3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one
SMILESO=C(CN1CCCCC1CO)N1CCc2c([nH]c(=O)c3ccccc23)C1
InChIInChI=1S/C20H25N3O3/c24-13-14-5-3-4-9-22(14)12-19(25)23-10-8-16-15-6-1-2-7-17(15)20(26)21-18(16)11-23/h1-2,6-7,14,24H,3-5,8-13H2,(H,21,26)
InChIKeyDTFJVXYLSDZQSQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.26
Rot. Bonds3

About 3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one

3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one (PubChem CID 10132875) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one
PubChem CID10132875
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one
SMILESO=C(CN1CCCCC1CO)N1CCc2c([nH]c(=O)c3ccccc23)C1
InChIInChI=1S/C20H25N3O3/c24-13-14-5-3-4-9-22(14)12-19(25)23-10-8-16-15-6-1-2-7-17(15)20(26)21-18(16)11-23/h1-2,6-7,14,24H,3-5,8-13H2,(H,21,26)
InChIKeyDTFJVXYLSDZQSQ-UHFFFAOYSA-N
XLogP1.26
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one?
The IUPAC name of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one (CID 10132875) is 3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one.
What is the SMILES notation for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one?
The canonical SMILES for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one is O=C(CN1CCCCC1CO)N1CCc2c([nH]c(=O)c3ccccc23)C1.
What is the InChIKey of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one?
The InChIKey is DTFJVXYLSDZQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-13-14-5-3-4-9-22(14)12-19(25)23-10-8-16-15-6-1-2-7-17(15)20(26)21-18(16)11-23/h1-2,6-7,14,24H,3-5,8-13H2,(H,21,26).
What are the key properties of 3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one?
3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one has a molecular weight of 355.44 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(hydroxymethyl)piperidin-1-yl]acetyl]-1,2,4,5-tetrahydrobenzo[c][1,7]naphthyridin-6-one is sourced from PubChem (CID 10132875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).