N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide

C16H23N3O — CID 81423205

IUPACN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccc2c1NCCC2)N1CCCCC1
InChIInChI=1S/C16H23N3O/c20-16(19-10-2-1-3-11-19)18-12-14-7-4-6-13-8-5-9-17-15(13)14/h4,6-7,17H,1-3,5,8-12H2,(H,18,20)
InChIKeyGOEAUVGFIJRZPQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.74
Rot. Bonds2

About N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide

N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide (PubChem CID 81423205) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide
PubChem CID81423205
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCc1cccc2c1NCCC2)N1CCCCC1
InChIInChI=1S/C16H23N3O/c20-16(19-10-2-1-3-11-19)18-12-14-7-4-6-13-8-5-9-17-15(13)14/h4,6-7,17H,1-3,5,8-12H2,(H,18,20)
InChIKeyGOEAUVGFIJRZPQ-UHFFFAOYSA-N
XLogP2.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide (CID 81423205) is N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide is O=C(NCc1cccc2c1NCCC2)N1CCCCC1.
What is the InChIKey of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide?
The InChIKey is GOEAUVGFIJRZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-16(19-10-2-1-3-11-19)18-12-14-7-4-6-13-8-5-9-17-15(13)14/h4,6-7,17H,1-3,5,8-12H2,(H,18,20).
What are the key properties of N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide?
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 81423205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).