N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride

C16H23ClN2O — CID 174853204

IUPACN-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)C1NCC2CCCC21.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-10-5-3-6-11(2)14(10)18-16(19)15-13-8-4-7-12(13)9-17-15;/h3,5-6,12-13,15,17H,4,7-9H2,1-2H3,(H,18,19);1H
InChIKeyQDACWVOTBIVISZ-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.05
Rot. Bonds2

About N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride

N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride (PubChem CID 174853204) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride
PubChem CID174853204
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride
SMILESCc1cccc(C)c1NC(=O)C1NCC2CCCC21.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-10-5-3-6-11(2)14(10)18-16(19)15-13-8-4-7-12(13)9-17-15;/h3,5-6,12-13,15,17H,4,7-9H2,1-2H3,(H,18,19);1H
InChIKeyQDACWVOTBIVISZ-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride 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-(2,6-diethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890146
N-(4-fluoro-2-methylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890355
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890177
N-(3-fluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890291
N-(3-methylsulfanylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890122
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-2-methylbenzoic acid
CID 102893095
methyl 3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)benzoate
CID 102892643
N-[4-(dimethylamino)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890746
(3aR,6aS)-N-(2-but-1-en-2-yl-6-propylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 146984887
N-(2-propan-2-yloxyphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890824
N-(4-cyanophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890331
N-(1H-indazol-7-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102891325

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride?
The IUPAC name of N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride (CID 174853204) is N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride is Cc1cccc(C)c1NC(=O)C1NCC2CCCC21.Cl.
What is the InChIKey of N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride?
The InChIKey is QDACWVOTBIVISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-10-5-3-6-11(2)14(10)18-16(19)15-13-8-4-7-12(13)9-17-15;/h3,5-6,12-13,15,17H,4,7-9H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride?
N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 174853204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).