6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one

C15H23N3O — CID 167943100

IUPAC6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one
SMILESO=c1[nH]ccc2c1CCN(CCC1CCNCC1)C2
InChIInChI=1S/C15H23N3O/c19-15-14-5-10-18(11-13(14)3-8-17-15)9-4-12-1-6-16-7-2-12/h3,8,12,16H,1-2,4-7,9-11H2,(H,17,19)
InChIKeyRSOWOFMVZUFACL-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.12
Rot. Bonds3

About 6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one

6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one (PubChem CID 167943100) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one.

Molecular Properties

Compound Name6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one
PubChem CID167943100
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one
SMILESO=c1[nH]ccc2c1CCN(CCC1CCNCC1)C2
InChIInChI=1S/C15H23N3O/c19-15-14-5-10-18(11-13(14)3-8-17-15)9-4-12-1-6-16-7-2-12/h3,8,12,16H,1-2,4-7,9-11H2,(H,17,19)
InChIKeyRSOWOFMVZUFACL-UHFFFAOYSA-N
XLogP1.12
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one?
The IUPAC name of 6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one (CID 167943100) is 6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one.
What is the SMILES notation for 6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one?
The canonical SMILES for 6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one is O=c1[nH]ccc2c1CCN(CCC1CCNCC1)C2.
What is the InChIKey of 6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one?
The InChIKey is RSOWOFMVZUFACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c19-15-14-5-10-18(11-13(14)3-8-17-15)9-4-12-1-6-16-7-2-12/h3,8,12,16H,1-2,4-7,9-11H2,(H,17,19).
What are the key properties of 6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one?
6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one has a molecular weight of 261.37 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-piperidin-4-ylethyl)-2,5,7,8-tetrahydro-2,6-naphthyridin-1-one is sourced from PubChem (CID 167943100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).