N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C16H22N2O — CID 66396103

IUPACN-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NCCC1CCCNC1)C1Cc2ccccc21
InChIInChI=1S/C16H22N2O/c19-16(15-10-13-5-1-2-6-14(13)15)18-9-7-12-4-3-8-17-11-12/h1-2,5-6,12,15,17H,3-4,7-11H2,(H,18,19)
InChIKeyAJQAZOZBSIYRBI-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.83
Rot. Bonds4

About N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66396103) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66396103
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NCCC1CCCNC1)C1Cc2ccccc21
InChIInChI=1S/C16H22N2O/c19-16(15-10-13-5-1-2-6-14(13)15)18-9-7-12-4-3-8-17-11-12/h1-2,5-6,12,15,17H,3-4,7-11H2,(H,18,19)
InChIKeyAJQAZOZBSIYRBI-UHFFFAOYSA-N
XLogP1.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-piperidin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119557953
N-(2-piperidin-3-ylethyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119557713
N-(2-piperidin-3-ylethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119557248
4-phenyl-N-(2-piperidin-3-ylethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119557227
1-phenyl-3-(2-piperidin-3-ylethyl)urea
CID 60895337
N-(3-cyclopentylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106011603
N-(2-chloroethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396131
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
N-pyrrolidin-3-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397068
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 60894986
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
2-(2-methylbutanoyl)-N-(2-piperidin-3-ylethyl)-3,4-dihydro-1H-isoquinoline-3-carboxamide;hydrochloride
CID 119557129

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66396103) is N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is O=C(NCCC1CCCNC1)C1Cc2ccccc21.
What is the InChIKey of N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is AJQAZOZBSIYRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(15-10-13-5-1-2-6-14(13)15)18-9-7-12-4-3-8-17-11-12/h1-2,5-6,12,15,17H,3-4,7-11H2,(H,18,19).
What are the key properties of N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66396103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).