6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one

C14H19N3O2 — CID 102567441

IUPAC6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
SMILESO=C(C1CCc2n[nH]c(=O)cc2C1)N1CCCCC1
InChIInChI=1S/C14H19N3O2/c18-13-9-11-8-10(4-5-12(11)15-16-13)14(19)17-6-2-1-3-7-17/h9-10H,1-8H2,(H,16,18)
InChIKeyAFIGAUSMMHNVCT-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.89
Rot. Bonds1

About 6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one

6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one (PubChem CID 102567441) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one.

Molecular Properties

Compound Name6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
PubChem CID102567441
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one
SMILESO=C(C1CCc2n[nH]c(=O)cc2C1)N1CCCCC1
InChIInChI=1S/C14H19N3O2/c18-13-9-11-8-10(4-5-12(11)15-16-13)14(19)17-6-2-1-3-7-17/h9-10H,1-8H2,(H,16,18)
InChIKeyAFIGAUSMMHNVCT-UHFFFAOYSA-N
XLogP0.89
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
The IUPAC name of 6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one (CID 102567441) is 6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one.
What is the SMILES notation for 6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
The canonical SMILES for 6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one is O=C(C1CCc2n[nH]c(=O)cc2C1)N1CCCCC1.
What is the InChIKey of 6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
The InChIKey is AFIGAUSMMHNVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-13-9-11-8-10(4-5-12(11)15-16-13)14(19)17-6-2-1-3-7-17/h9-10H,1-8H2,(H,16,18).
What are the key properties of 6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one?
6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one has a molecular weight of 261.32 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(piperidine-1-carbonyl)-5,6,7,8-tetrahydro-2H-cinnolin-3-one is sourced from PubChem (CID 102567441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).