2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide

C17H21N3O — CID 119460242

IUPAC2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide
SMILESCc1ccc2cccc(C(=O)NCC3CCCNC3)c2n1
InChIInChI=1S/C17H21N3O/c1-12-7-8-14-5-2-6-15(16(14)20-12)17(21)19-11-13-4-3-9-18-10-13/h2,5-8,13,18H,3-4,9-11H2,1H3,(H,19,21)
InChIKeyBUJADWGKKHZDAE-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide

2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide (PubChem CID 119460242) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide.

Molecular Properties

Compound Name2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide
PubChem CID119460242
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide
SMILESCc1ccc2cccc(C(=O)NCC3CCCNC3)c2n1
InChIInChI=1S/C17H21N3O/c1-12-7-8-14-5-2-6-15(16(14)20-12)17(21)19-11-13-4-3-9-18-10-13/h2,5-8,13,18H,3-4,9-11H2,1H3,(H,19,21)
InChIKeyBUJADWGKKHZDAE-UHFFFAOYSA-N
XLogP2.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-iodo-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 113265456
N-(piperidin-3-ylmethyl)quinoxaline-5-carboxamide
CID 104615453
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332
6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 80564489
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
2-methyl-N-piperidin-4-ylquinoline-8-carboxamide;dihydrochloride
CID 119386176
2-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 60725298
N-[2-methyl-6-(piperidin-3-ylmethylcarbamoyl)phenyl]pyridine-4-carboxamide;dihydrochloride
CID 119461431
2-benzyl-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462305
2-phenylsulfanyl-N-(piperidin-3-ylmethyl)benzamide
CID 119464048
2,5-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrrole-3-carboxamide
CID 119459788
3-methyl-1-phenyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119462686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide?
The IUPAC name of 2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide (CID 119460242) is 2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide.
What is the SMILES notation for 2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide?
The canonical SMILES for 2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide is Cc1ccc2cccc(C(=O)NCC3CCCNC3)c2n1.
What is the InChIKey of 2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide?
The InChIKey is BUJADWGKKHZDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-7-8-14-5-2-6-15(16(14)20-12)17(21)19-11-13-4-3-9-18-10-13/h2,5-8,13,18H,3-4,9-11H2,1H3,(H,19,21).
What are the key properties of 2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide?
2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(piperidin-3-ylmethyl)quinoline-8-carboxamide is sourced from PubChem (CID 119460242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).