N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

C14H24N2O2 — CID 106135216

IUPACN-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CC2CCC1N2
InChIInChI=1S/C14H24N2O2/c17-11-3-1-2-9(6-11)8-15-14(18)12-7-10-4-5-13(12)16-10/h9-13,16-17H,1-8H2,(H,15,18)
InChIKeyCLTQZYLANVUSGF-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.79
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 106135216) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID106135216
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)C1CC2CCC1N2
InChIInChI=1S/C14H24N2O2/c17-11-3-1-2-9(6-11)8-15-14(18)12-7-10-4-5-13(12)16-10/h9-13,16-17H,1-8H2,(H,15,18)
InChIKeyCLTQZYLANVUSGF-UHFFFAOYSA-N
XLogP0.79
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 113267465
N-[(3-hydroxycyclohexyl)methyl]thiolane-2-carboxamide
CID 103712034
3-amino-N-[(3-hydroxycyclohexyl)methyl]cyclohexane-1-carboxamide
CID 104530465
N-(2-ethylsulfinylethyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 115739349
N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106176726
N-[(3-hydroxycyclohexyl)methyl]thiomorpholine-3-carboxamide
CID 106135048
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 112701950
2-[(3-hydroxycyclobutyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978906
N-(4-hydroxy-2,2-dimethylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114150080
N-[2-(dimethylsulfamoyl)ethyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114175261
N-[(3-hydroxycyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 113241320
1-[(3-hydroxycyclohexyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111505319

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 106135216) is N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is O=C(NCC1CCCC(O)C1)C1CC2CCC1N2.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CLTQZYLANVUSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-11-3-1-2-9(6-11)8-15-14(18)12-7-10-4-5-13(12)16-10/h9-13,16-17H,1-8H2,(H,15,18).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 106135216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).