N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide

C18H23N3O — CID 120670665

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide
SMILESCC1(C)CCCNC1CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C18H23N3O/c1-18(2)8-4-10-20-16(18)12-21-17(22)14-6-7-15-13(11-14)5-3-9-19-15/h3,5-7,9,11,16,20H,4,8,10,12H2,1-2H3,(H,21,22)
InChIKeyLAEQDUOLTSHQAN-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.74
Rot. Bonds3

About N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide

N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide (PubChem CID 120670665) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide
PubChem CID120670665
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide
SMILESCC1(C)CCCNC1CNC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C18H23N3O/c1-18(2)8-4-10-20-16(18)12-21-17(22)14-6-7-15-13(11-14)5-3-9-19-15/h3,5-7,9,11,16,20H,4,8,10,12H2,1-2H3,(H,21,22)
InChIKeyLAEQDUOLTSHQAN-UHFFFAOYSA-N
XLogP2.74
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.74
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]-3,4-diethoxybenzamide;hydrochloride
CID 120671025
N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120670834
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120671037
N-(piperidin-3-ylmethyl)quinoline-6-carboxamide
CID 62874382
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methylpyridine-2-carboxamide;dihydrochloride
CID 120671077
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methylpyridine-3-carboxamide;dihydrochloride
CID 120671038
N-[(3-aminocyclobutyl)methyl]quinoline-6-carboxamide
CID 66004939
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120671060
N-[(3,3-dimethylpiperidin-2-yl)methyl]furan-2-carboxamide;hydrochloride
CID 120670986
N-(3-bromobutyl)quinoline-6-carboxamide
CID 113275206
N-(2-chloroethyl)quinoline-6-carboxamide
CID 62874874

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide (CID 120670665) is N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide is CC1(C)CCCNC1CNC(=O)c1ccc2ncccc2c1.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide?
The InChIKey is LAEQDUOLTSHQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-18(2)8-4-10-20-16(18)12-21-17(22)14-6-7-15-13(11-14)5-3-9-19-15/h3,5-7,9,11,16,20H,4,8,10,12H2,1-2H3,(H,21,22).
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide?
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 2.74, 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]quinoline-6-carboxamide is sourced from PubChem (CID 120670665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).