N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C15H20N2O — CID 66395366

IUPACN-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCN(C(=O)C1Cc2ccccc21)C1CCNCC1
InChIInChI=1S/C15H20N2O/c1-17(12-6-8-16-9-7-12)15(18)14-10-11-4-2-3-5-13(11)14/h2-5,12,14,16H,6-10H2,1H3
InChIKeyNGNZNICYHWSASL-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.54
Rot. Bonds2

About N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66395366) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66395366
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCN(C(=O)C1Cc2ccccc21)C1CCNCC1
InChIInChI=1S/C15H20N2O/c1-17(12-6-8-16-9-7-12)15(18)14-10-11-4-2-3-5-13(11)14/h2-5,12,14,16H,6-10H2,1H3
InChIKeyNGNZNICYHWSASL-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-piperidin-4-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43602044
N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 79121868
N-methyl-N-[4-(methylamino)cyclohexyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 79123084
tert-butyl 4-[bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl(methyl)amino]piperidine-1-carboxylate
CID 84584797
N-(2-hydroxycyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 102634428
N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260376
N-methyl-N-piperidin-4-yl-2,3-dihydro-1-benzothiophene-2-carboxamide;hydrochloride
CID 119443019
bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl iodide
CID 22956884
N-methyl-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119553909
N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396917
N-(2,3-dihydro-1H-inden-2-yl)-N-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119746215
N-methyl-N-pyrrolidin-3-yl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126398

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66395366) is N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CN(C(=O)C1Cc2ccccc21)C1CCNCC1.
What is the InChIKey of N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is NGNZNICYHWSASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-17(12-6-8-16-9-7-12)15(18)14-10-11-4-2-3-5-13(11)14/h2-5,12,14,16H,6-10H2,1H3.
What are the key properties of N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 244.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-ylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66395366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).