N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride

C14H19ClN2O3 — CID 71643856

IUPACN-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H18N2O3.ClH/c15-10-2-4-11(5-3-10)16-14(17)9-1-6-12-13(7-9)19-8-18-12;/h1,6-7,10-11H,2-5,8,15H2,(H,16,17);1H
InChIKeyOHAXPQANBGCUOP-UHFFFAOYSA-N
MW298.77 g/mol
LogP1.84
Rot. Bonds2

About N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride

N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride (PubChem CID 71643856) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
PubChem CID71643856
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC NameN-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride
SMILESCl.NC1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1
InChIInChI=1S/C14H18N2O3.ClH/c15-10-2-4-11(5-3-10)16-14(17)9-1-6-12-13(7-9)19-8-18-12;/h1,6-7,10-11H,2-5,8,15H2,(H,16,17);1H
InChIKeyOHAXPQANBGCUOP-UHFFFAOYSA-N
XLogP1.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-pyrrolidin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 71645351
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23854951
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-benzodioxole-5-carboxamide
CID 61238980
2-(1,3-benzodioxol-5-yl)-N-cyclopropyl-2-oxoacetamide
CID 82116103
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 26905962
methyl 4-(1,3-benzodioxole-5-carbonylamino)piperidine-1-carboxylate
CID 110821823
4-N-(4-aminocyclohexyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119478160
N-(4-ethylcyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 112816440
N-(4-aminocyclohexyl)-4-chlorobenzamide;hydrochloride
CID 86277368
N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)-1,3-benzodioxole-5-carboxamide
CID 4093721
N-(5-oxopyrrolidin-3-yl)-1,3-benzodioxole-5-carboxamide
CID 56765647

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride (CID 71643856) is N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride is Cl.NC1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
The InChIKey is OHAXPQANBGCUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3.ClH/c15-10-2-4-11(5-3-10)16-14(17)9-1-6-12-13(7-9)19-8-18-12;/h1,6-7,10-11H,2-5,8,15H2,(H,16,17);1H.
What are the key properties of N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1,3-benzodioxole-5-carboxamide;hydrochloride is sourced from PubChem (CID 71643856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).