N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide

C17H21N3O — CID 131737120

IUPACN-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
SMILESC[C@H]1CCCN[C@H]1CNC(=O)c1cccc2cccnc12
InChIInChI=1S/C17H21N3O/c1-12-5-3-9-18-15(12)11-20-17(21)14-8-2-6-13-7-4-10-19-16(13)14/h2,4,6-8,10,12,15,18H,3,5,9,11H2,1H3,(H,20,21)/t12-,15-/m0/s1
InChIKeyWRMPWNBEPLUPSM-WFASDCNBSA-N
MW283.37 g/mol
LogP2.35
Rot. Bonds3

About N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide

N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide (PubChem CID 131737120) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
PubChem CID131737120
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC NameN-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide
SMILESC[C@H]1CCCN[C@H]1CNC(=O)c1cccc2cccnc12
InChIInChI=1S/C17H21N3O/c1-12-5-3-9-18-15(12)11-20-17(21)14-8-2-6-13-7-4-10-19-16(13)14/h2,4,6-8,10,12,15,18H,3,5,9,11H2,1H3,(H,20,21)/t12-,15-/m0/s1
InChIKeyWRMPWNBEPLUPSM-WFASDCNBSA-N
XLogP2.35
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[(3-methylpiperidin-2-yl)methyl]benzamide
CID 63304743
4-hydroxy-2-methyl-N-[(3-methylpiperidin-2-yl)methyl]benzamide
CID 107671389
N-[2-(cyclopropylamino)ethyl]quinoline-8-carboxamide
CID 55126983
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 55126271
2-(3-fluorophenyl)-N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305010
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N'-[(1S,2R)-2-methylcyclopropanecarbonyl]quinoline-8-carbohydrazide
CID 97315545
N-[(3-methylpiperidin-2-yl)methyl]acetamide
CID 63305307
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)quinoline-8-carboxamide
CID 114693848
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
2-methyl-N-(piperidin-3-ylmethyl)pyridine-3-carboxamide;dihydrochloride
CID 119462332

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide?
The IUPAC name of N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide (CID 131737120) is N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide?
The canonical SMILES for N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide is C[C@H]1CCCN[C@H]1CNC(=O)c1cccc2cccnc12.
What is the InChIKey of N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide?
The InChIKey is WRMPWNBEPLUPSM-WFASDCNBSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-5-3-9-18-15(12)11-20-17(21)14-8-2-6-13-7-4-10-19-16(13)14/h2,4,6-8,10,12,15,18H,3,5,9,11H2,1H3,(H,20,21)/t12-,15-/m0/s1.
What are the key properties of N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide?
N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-3-methylpiperidin-2-yl]methyl]quinoline-8-carboxamide is sourced from PubChem (CID 131737120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).