N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

C16H23N3O — CID 62214552

IUPACN-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCN1CCC(NC(=O)c2cccc3c2NCCC3)CC1
InChIInChI=1S/C16H23N3O/c1-19-10-7-13(8-11-19)18-16(20)14-6-2-4-12-5-3-9-17-15(12)14/h2,4,6,13,17H,3,5,7-11H2,1H3,(H,18,20)
InChIKeyBGEKDVQQPVNYHZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.87
Rot. Bonds2

About N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide

N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (PubChem CID 62214552) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
PubChem CID62214552
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
SMILESCN1CCC(NC(=O)c2cccc3c2NCCC3)CC1
InChIInChI=1S/C16H23N3O/c1-19-10-7-13(8-11-19)18-16(20)14-6-2-4-12-5-3-9-17-15(12)14/h2,4,6,13,17H,3,5,7-11H2,1H3,(H,18,20)
InChIKeyBGEKDVQQPVNYHZ-UHFFFAOYSA-N
XLogP1.87
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62214906
N-[2-(cyclopropylamino)-2-oxoethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62212757
N-methyl-1,2,3,4-tetrahydroquinoline-8-carboxamide;hydrochloride
CID 146675579
N-[(3S,6R)-6-[2-methoxyethyl(methyl)carbamoyl]-1-methylazepan-3-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 175645656
N-butyl-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 62213109
N-(3-ethylpentan-3-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 65041181
N-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 125157866
formic acid;N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 163334228
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 63330077
2-amino-N-(1-methylpiperidin-4-yl)benzamide;dihydrochloride
CID 119946137
N-(2,3-dimethylbutyl)-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 64599539
(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62332348

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide (CID 62214552) is N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is CN1CCC(NC(=O)c2cccc3c2NCCC3)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
The InChIKey is BGEKDVQQPVNYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-10-7-13(8-11-19)18-16(20)14-6-2-4-12-5-3-9-17-15(12)14/h2,4,6,13,17H,3,5,7-11H2,1H3,(H,18,20).
What are the key properties of N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide?
N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoline-8-carboxamide is sourced from PubChem (CID 62214552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).