N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide

C22H28N6O — CID 25328000

IUPACN,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cccc4ncccc34)C2)nn1
InChIInChI=1S/C22H28N6O/c1-3-27(4-2)22(29)21-16-28(25-24-21)18-9-7-13-26(15-18)14-17-8-5-11-20-19(17)10-6-12-23-20/h5-6,8,10-12,16,18H,3-4,7,9,13-15H2,1-2H3/t18-/m1/s1
InChIKeyIINOYKUCLFQGND-GOSISDBHSA-N
MW392.51 g/mol
LogP3.15
Rot. Bonds6

About N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide

N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide (PubChem CID 25328000) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
PubChem CID25328000
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC NameN,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cccc4ncccc34)C2)nn1
InChIInChI=1S/C22H28N6O/c1-3-27(4-2)22(29)21-16-28(25-24-21)18-9-7-13-26(15-18)14-17-8-5-11-20-19(17)10-6-12-23-20/h5-6,8,10-12,16,18H,3-4,7,9,13-15H2,1-2H3/t18-/m1/s1
InChIKeyIINOYKUCLFQGND-GOSISDBHSA-N
XLogP3.15
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-1-[1-(quinolin-5-ylmethyl)piperidin-4-yl]triazole-4-carboxamide
CID 42501111
N,N-diethyl-1-[1-[(2-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45213295
N,N-diethyl-1-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26341567
1-[1-[(2-ethoxyphenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 45199833
N,N-diethyl-1-[(3S)-1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 42435625
1-[(3R)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-N,N-diethyltriazole-4-carboxamide
CID 25326216
N,N-diethyl-1-[(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26358274
N,N-diethyl-1-[1-[(2-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 45250697
N,N-diethyl-1-[(3R)-1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26355311
methyl 4-[[3-[4-(diethylcarbamoyl)triazol-1-yl]piperidin-1-yl]methyl]benzoate
CID 45244526
N,N-diethyl-1-[1-[(E)-2-methylbut-2-enyl]piperidin-3-yl]triazole-4-carboxamide
CID 45205536
N,N-diethyl-1-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26399029

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide (CID 25328000) is N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn([C@@H]2CCCN(Cc3cccc4ncccc34)C2)nn1.
What is the InChIKey of N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
The InChIKey is IINOYKUCLFQGND-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N6O/c1-3-27(4-2)22(29)21-16-28(25-24-21)18-9-7-13-26(15-18)14-17-8-5-11-20-19(17)10-6-12-23-20/h5-6,8,10-12,16,18H,3-4,7,9,13-15H2,1-2H3/t18-/m1/s1.
What are the key properties of N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide?
N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide has a molecular weight of 392.51 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(3R)-1-(quinolin-5-ylmethyl)piperidin-3-yl]triazole-4-carboxamide is sourced from PubChem (CID 25328000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).