N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride

C18H25Cl2N3O — CID 120670834

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride
SMILESCC1(C)CCCNC1CNC(=O)c1nccc2ccccc12.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-18(2)9-5-10-19-15(18)12-21-17(22)16-14-7-4-3-6-13(14)8-11-20-16;;/h3-4,6-8,11,15,19H,5,9-10,12H2,1-2H3,(H,21,22);2*1H
InChIKeyOJIQMWVUBOYVFO-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.59
Rot. Bonds3

About N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride

N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride (PubChem CID 120670834) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride
PubChem CID120670834
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride
SMILESCC1(C)CCCNC1CNC(=O)c1nccc2ccccc12.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-18(2)9-5-10-19-15(18)12-21-17(22)16-14-7-4-3-6-13(14)8-11-20-16;;/h3-4,6-8,11,15,19H,5,9-10,12H2,1-2H3,(H,21,22);2*1H
InChIKeyOJIQMWVUBOYVFO-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide
CID 120670665
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methylpyridine-2-carboxamide;dihydrochloride
CID 120671077
N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120670986
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120670803
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120671060
N-(cyclohexylmethyl)isoquinoline-1-carboxamide
CID 1438626
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120670985
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride
CID 120671025
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride
CID 120671038
N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120831709
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120671037

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride (CID 120670834) is N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride is CC1(C)CCCNC1CNC(=O)c1nccc2ccccc12.Cl.Cl.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride?
The InChIKey is OJIQMWVUBOYVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-18(2)9-5-10-19-15(18)12-21-17(22)16-14-7-4-3-6-13(14)8-11-20-16;;/h3-4,6-8,11,15,19H,5,9-10,12H2,1-2H3,(H,21,22);2*1H.
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride?
N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride is sourced from PubChem (CID 120670834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).