2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide

C17H24N2O — CID 106780274

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide
SMILESCC1CC(C)C(C(N)=O)C(CC2Cc3ccccc32)N1
InChIInChI=1S/C17H24N2O/c1-10-7-11(2)19-15(16(10)17(18)20)9-13-8-12-5-3-4-6-14(12)13/h3-6,10-11,13,15-16,19H,7-9H2,1-2H3,(H2,18,20)
InChIKeyQNIRSFXUARMNSI-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.20
Rot. Bonds3

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide

2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide (PubChem CID 106780274) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide
PubChem CID106780274
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide
SMILESCC1CC(C)C(C(N)=O)C(CC2Cc3ccccc32)N1
InChIInChI=1S/C17H24N2O/c1-10-7-11(2)19-15(16(10)17(18)20)9-13-8-12-5-3-4-6-14(12)13/h3-6,10-11,13,15-16,19H,7-9H2,1-2H3,(H2,18,20)
InChIKeyQNIRSFXUARMNSI-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide with MolForge

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Related Compounds

2-[(2-methoxyphenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide
CID 106778055
2-[(4-fluorophenyl)methyl]-4,6-dimethylpiperidine-3-carboxamide
CID 106777741
4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-2-one
CID 79429274
1-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 57259590
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-methylcyclopropan-1-amine
CID 66418322
1-(4-aminocyclopent-2-en-1-yl)-2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethanone
CID 116584905
3-(azetidin-3-yl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-2-one
CID 116680722
methyl 2-(aminomethyl)-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-methylpropanoate
CID 106487946
3-amino-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methylpentan-2-one
CID 116549000
1-[2-(aminomethyl)phenyl]-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-one
CID 116595996
3-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)propanamide
CID 66418506
(2R)-2-amino-3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propanoic acid
CID 106702789

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide (CID 106780274) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide is CC1CC(C)C(C(N)=O)C(CC2Cc3ccccc32)N1.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide?
The InChIKey is QNIRSFXUARMNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-10-7-11(2)19-15(16(10)17(18)20)9-13-8-12-5-3-4-6-14(12)13/h3-6,10-11,13,15-16,19H,7-9H2,1-2H3,(H2,18,20).
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4,6-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 106780274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).