N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C20H26N6O2 — CID 119747290

IUPACN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(=O)N2CCCc3ccccc32)nnn1C1CCNCC1
InChIInChI=1S/C20H26N6O2/c1-14-19(23-24-26(14)16-8-10-21-11-9-16)20(28)22-13-18(27)25-12-4-6-15-5-2-3-7-17(15)25/h2-3,5,7,16,21H,4,6,8-13H2,1H3,(H,22,28)
InChIKeyKFHOGVXQGKSJTJ-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.22
Rot. Bonds4

About N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119747290) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119747290
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCC(=O)N2CCCc3ccccc32)nnn1C1CCNCC1
InChIInChI=1S/C20H26N6O2/c1-14-19(23-24-26(14)16-8-10-21-11-9-16)20(28)22-13-18(27)25-12-4-6-15-5-2-3-7-17(15)25/h2-3,5,7,16,21H,4,6,8-13H2,1H3,(H,22,28)
InChIKeyKFHOGVXQGKSJTJ-UHFFFAOYSA-N
XLogP1.22
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide with MolForge

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Related Compounds

(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 119732398
(5-methyl-1-piperidin-4-yltriazol-4-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone;hydrochloride
CID 119732397
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 71937420
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119850392
5-methyl-1-piperidin-4-yl-N-[3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]triazole-4-carboxamide;hydrochloride
CID 119787326
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696980
N-[2-(2-fluorophenyl)-2-methylpropyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119766068
N-(2-cyclopropylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119790407
N-[2-(2-chlorophenyl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
CID 119705388
N-(2-cyclohexylethyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119725707
N-[[2-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119812798
5-methyl-1-piperidin-4-yl-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]triazole-4-carboxamide;dihydrochloride
CID 119847239

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119747290) is N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCC(=O)N2CCCc3ccccc32)nnn1C1CCNCC1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is KFHOGVXQGKSJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14-19(23-24-26(14)16-8-10-21-11-9-16)20(28)22-13-18(27)25-12-4-6-15-5-2-3-7-17(15)25/h2-3,5,7,16,21H,4,6,8-13H2,1H3,(H,22,28).
What are the key properties of N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119747290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).