N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide

C22H36N2O — CID 42700952

IUPACN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCCCC1)CC1CC2C=CC1C2
InChIInChI=1S/C22H36N2O/c25-22(19-7-3-1-4-8-19)24(14-13-23-11-5-2-6-12-23)17-21-16-18-9-10-20(21)15-18/h9-10,18-21H,1-8,11-17H2
InChIKeyKZCZDCQCJIACIX-UHFFFAOYSA-N
MW344.54 g/mol
LogP4.09
Rot. Bonds6

About N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide

N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide (PubChem CID 42700952) has the molecular formula C22H36N2O and a molecular weight of 344.54 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide
PubChem CID42700952
Molecular FormulaC22H36N2O
Molecular Weight344.54 g/mol
Exact Mass344.28
IUPAC NameN-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide
SMILESO=C(C1CCCCC1)N(CCN1CCCCC1)CC1CC2C=CC1C2
InChIInChI=1S/C22H36N2O/c25-22(19-7-3-1-4-8-19)24(14-13-23-11-5-2-6-12-23)17-21-16-18-9-10-20(21)15-18/h9-10,18-21H,1-8,11-17H2
InChIKeyKZCZDCQCJIACIX-UHFFFAOYSA-N
XLogP4.09
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide (CID 42700952) is N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide is O=C(C1CCCCC1)N(CCN1CCCCC1)CC1CC2C=CC1C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide?
The InChIKey is KZCZDCQCJIACIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O/c25-22(19-7-3-1-4-8-19)24(14-13-23-11-5-2-6-12-23)17-21-16-18-9-10-20(21)15-18/h9-10,18-21H,1-8,11-17H2.
What are the key properties of N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide?
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide has a molecular weight of 344.54 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-(2-piperidin-1-ylethyl)cyclohexanecarboxamide is sourced from PubChem (CID 42700952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).