5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one

C15H17N3O2 — CID 164631526

IUPAC5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one
SMILESC[C@H]1CCCN(C(=O)c2c[nH]c(=O)c3ncccc23)C1
InChIInChI=1S/C15H17N3O2/c1-10-4-3-7-18(9-10)15(20)12-8-17-14(19)13-11(12)5-2-6-16-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyRGABVXGBOUZZKX-JTQLQIEISA-N
MW271.32 g/mol
LogP1.80
Rot. Bonds1

About 5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one

5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one (PubChem CID 164631526) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one.

Molecular Properties

Compound Name5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one
PubChem CID164631526
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one
SMILESC[C@H]1CCCN(C(=O)c2c[nH]c(=O)c3ncccc23)C1
InChIInChI=1S/C15H17N3O2/c1-10-4-3-7-18(9-10)15(20)12-8-17-14(19)13-11(12)5-2-6-16-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,17,19)/t10-/m0/s1
InChIKeyRGABVXGBOUZZKX-JTQLQIEISA-N
XLogP1.80
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one?
The IUPAC name of 5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one (CID 164631526) is 5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one.
What is the SMILES notation for 5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one?
The canonical SMILES for 5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one is C[C@H]1CCCN(C(=O)c2c[nH]c(=O)c3ncccc23)C1.
What is the InChIKey of 5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one?
The InChIKey is RGABVXGBOUZZKX-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-4-3-7-18(9-10)15(20)12-8-17-14(19)13-11(12)5-2-6-16-13/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,17,19)/t10-/m0/s1.
What are the key properties of 5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one?
5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one has a molecular weight of 271.32 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-methylpiperidine-1-carbonyl]-7H-1,7-naphthyridin-8-one is sourced from PubChem (CID 164631526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).