cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate

C22H30N2O2 — CID 19761207

IUPACcyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC1CCCCC1)C1CCN(CC2=c3ccccc3=C2)CC1
InChIInChI=1S/C22H30N2O2/c1-23(22(25)26-20-8-3-2-4-9-20)19-11-13-24(14-12-19)16-18-15-17-7-5-6-10-21(17)18/h5-7,10,15,19-20H,2-4,8-9,11-14,16H2,1H3
InChIKeyCFMIKQXSXFGMBG-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.50
Rot. Bonds4

About cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate

cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 19761207) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Namecyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate
PubChem CID19761207
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Namecyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC1CCCCC1)C1CCN(CC2=c3ccccc3=C2)CC1
InChIInChI=1S/C22H30N2O2/c1-23(22(25)26-20-8-3-2-4-9-20)19-11-13-24(14-12-19)16-18-15-17-7-5-6-10-21(17)18/h5-7,10,15,19-20H,2-4,8-9,11-14,16H2,1H3
InChIKeyCFMIKQXSXFGMBG-UHFFFAOYSA-N
XLogP2.50
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate (CID 19761207) is cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate is CN(C(=O)OC1CCCCC1)C1CCN(CC2=c3ccccc3=C2)CC1.
What is the InChIKey of cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is CFMIKQXSXFGMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c1-23(22(25)26-20-8-3-2-4-9-20)19-11-13-24(14-12-19)16-18-15-17-7-5-6-10-21(17)18/h5-7,10,15,19-20H,2-4,8-9,11-14,16H2,1H3.
What are the key properties of cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate?
cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 354.49 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[1-(7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenylmethyl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 19761207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).