N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide

C17H25N3O — CID 81218119

IUPACN-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C17H25N3O/c1-12-6-7-13-11-14(8-9-15(13)19-12)20-10-4-3-5-16(20)17(21)18-2/h8-9,11-12,16,19H,3-7,10H2,1-2H3,(H,18,21)
InChIKeySBNGTAFCZJKFAI-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.54
Rot. Bonds2

About N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide

N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide (PubChem CID 81218119) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide
PubChem CID81218119
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccc2c(c1)CCC(C)N2
InChIInChI=1S/C17H25N3O/c1-12-6-7-13-11-14(8-9-15(13)19-12)20-10-4-3-5-16(20)17(21)18-2/h8-9,11-12,16,19H,3-7,10H2,1-2H3,(H,18,21)
InChIKeySBNGTAFCZJKFAI-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide?
The IUPAC name of N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide (CID 81218119) is N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide?
The canonical SMILES for N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide is CNC(=O)C1CCCCN1c1ccc2c(c1)CCC(C)N2.
What is the InChIKey of N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide?
The InChIKey is SBNGTAFCZJKFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-12-6-7-13-11-14(8-9-15(13)19-12)20-10-4-3-5-16(20)17(21)18-2/h8-9,11-12,16,19H,3-7,10H2,1-2H3,(H,18,21).
What are the key properties of N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide?
N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-1,2,3,4-tetrahydroquinolin-6-yl)piperidine-2-carboxamide is sourced from PubChem (CID 81218119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).