N-piperidin-1-ylbenzo[e]azulene-3-carboxamide

C20H20N2O — CID 69039955

IUPACN-piperidin-1-ylbenzo[e]azulene-3-carboxamide
SMILESO=C(NN1CCCCC1)c1ccc2c3ccccc3cccc1-2
InChIInChI=1S/C20H20N2O/c23-20(21-22-13-4-1-5-14-22)19-12-11-18-16-9-3-2-7-15(16)8-6-10-17(18)19/h2-3,6-12H,1,4-5,13-14H2,(H,21,23)
InChIKeyXKBOJTYZQSVGIN-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.08
Rot. Bonds2

About N-piperidin-1-ylbenzo[e]azulene-3-carboxamide

N-piperidin-1-ylbenzo[e]azulene-3-carboxamide (PubChem CID 69039955) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is N-piperidin-1-ylbenzo[e]azulene-3-carboxamide.

Molecular Properties

Compound NameN-piperidin-1-ylbenzo[e]azulene-3-carboxamide
PubChem CID69039955
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC NameN-piperidin-1-ylbenzo[e]azulene-3-carboxamide
SMILESO=C(NN1CCCCC1)c1ccc2c3ccccc3cccc1-2
InChIInChI=1S/C20H20N2O/c23-20(21-22-13-4-1-5-14-22)19-12-11-18-16-9-3-2-7-15(16)8-6-10-17(18)19/h2-3,6-12H,1,4-5,13-14H2,(H,21,23)
InChIKeyXKBOJTYZQSVGIN-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-1-ylbenzo[e]azulene-3-carboxamide?
The IUPAC name of N-piperidin-1-ylbenzo[e]azulene-3-carboxamide (CID 69039955) is N-piperidin-1-ylbenzo[e]azulene-3-carboxamide.
What is the SMILES notation for N-piperidin-1-ylbenzo[e]azulene-3-carboxamide?
The canonical SMILES for N-piperidin-1-ylbenzo[e]azulene-3-carboxamide is O=C(NN1CCCCC1)c1ccc2c3ccccc3cccc1-2.
What is the InChIKey of N-piperidin-1-ylbenzo[e]azulene-3-carboxamide?
The InChIKey is XKBOJTYZQSVGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-20(21-22-13-4-1-5-14-22)19-12-11-18-16-9-3-2-7-15(16)8-6-10-17(18)19/h2-3,6-12H,1,4-5,13-14H2,(H,21,23).
What are the key properties of N-piperidin-1-ylbenzo[e]azulene-3-carboxamide?
N-piperidin-1-ylbenzo[e]azulene-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-1-ylbenzo[e]azulene-3-carboxamide is sourced from PubChem (CID 69039955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).