(2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

C17H25N3O — CID 93290068

IUPAC(2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESC[C@H]1C[C@H](C(=O)NC2CCN(C)CC2)c2ccccc2N1
InChIInChI=1S/C17H25N3O/c1-12-11-15(14-5-3-4-6-16(14)18-12)17(21)19-13-7-9-20(2)10-8-13/h3-6,12-13,15,18H,7-11H2,1-2H3,(H,19,21)/t12-,15-/m0/s1
InChIKeyXGYDTODUCGBWIL-WFASDCNBSA-N
MW287.41 g/mol
LogP2.18
Rot. Bonds2

About (2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide

(2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (PubChem CID 93290068) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
PubChem CID93290068
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
SMILESC[C@H]1C[C@H](C(=O)NC2CCN(C)CC2)c2ccccc2N1
InChIInChI=1S/C17H25N3O/c1-12-11-15(14-5-3-4-6-16(14)18-12)17(21)19-13-7-9-20(2)10-8-13/h3-6,12-13,15,18H,7-11H2,1-2H3,(H,19,21)/t12-,15-/m0/s1
InChIKeyXGYDTODUCGBWIL-WFASDCNBSA-N
XLogP2.18
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide with MolForge

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Related Compounds

2-methyl-N-(1-methylpiperidin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 61222722
N-cyclooctyl-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43823060
2-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24698002
(2R,4R)-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxylic acid
CID 95566944
2-methyl-N-pentan-3-yl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24691290
N-[2-(carbamoylamino)ethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 83120583
2-methyl-N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24697418
2-methyl-N-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43310647
2-methyl-N-(3-methylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 106329302
(3,4-dimethylpiperazin-1-yl)-(2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)methanone
CID 63620366
N-[2-(dimethylamino)-2-oxoethyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 43311061
N-[(4-fluorophenyl)methyl]-2-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 24695751

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The IUPAC name of (2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide (CID 93290068) is (2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide.
What is the SMILES notation for (2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The canonical SMILES for (2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is C[C@H]1C[C@H](C(=O)NC2CCN(C)CC2)c2ccccc2N1.
What is the InChIKey of (2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
The InChIKey is XGYDTODUCGBWIL-WFASDCNBSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-11-15(14-5-3-4-6-16(14)18-12)17(21)19-13-7-9-20(2)10-8-13/h3-6,12-13,15,18H,7-11H2,1-2H3,(H,19,21)/t12-,15-/m0/s1.
What are the key properties of (2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide?
(2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide is sourced from PubChem (CID 93290068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).