1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide

C21H28ClN5O2 — CID 167863952

IUPAC1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)C2(N3CCOCC3)CCCC2)nnn1-c1ccccc1Cl
InChIInChI=1S/C21H28ClN5O2/c1-15-19(24-25-27(15)18-8-4-3-7-17(18)22)20(28)23-16(2)21(9-5-6-10-21)26-11-13-29-14-12-26/h3-4,7-8,16H,5-6,9-14H2,1-2H3,(H,23,28)
InChIKeyMNXMBYFUDHFKLZ-UHFFFAOYSA-N
MW417.94 g/mol
LogP2.99
Rot. Bonds5

About 1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide

1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide (PubChem CID 167863952) has the molecular formula C21H28ClN5O2 and a molecular weight of 417.94 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide
PubChem CID167863952
Molecular FormulaC21H28ClN5O2
Molecular Weight417.94 g/mol
Exact Mass417.19
IUPAC Name1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide
SMILESCc1c(C(=O)NC(C)C2(N3CCOCC3)CCCC2)nnn1-c1ccccc1Cl
InChIInChI=1S/C21H28ClN5O2/c1-15-19(24-25-27(15)18-8-4-3-7-17(18)22)20(28)23-16(2)21(9-5-6-10-21)26-11-13-29-14-12-26/h3-4,7-8,16H,5-6,9-14H2,1-2H3,(H,23,28)
InChIKeyMNXMBYFUDHFKLZ-UHFFFAOYSA-N
XLogP2.99
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-chlorophenyl)-N-(2,4-dioxoimidazolidin-1-yl)-5-methyltriazole-4-carboxamide
CID 56801333
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyltriazole-4-carboxamide
CID 95179714
5-methyl-1-(2-morpholin-4-ylphenyl)triazole-4-carboxylic acid
CID 137375571
1-(2-chlorophenyl)-N-[(2R)-2-cyclopropyl-2-(dimethylamino)ethyl]-5-methyltriazole-4-carboxamide
CID 95572722
1-(2-chlorophenyl)-N-(2-ethyl-6-methylphenyl)-5-methyltriazole-4-carboxamide
CID 16649250
(2R)-1-[1-(2-chlorophenyl)-5-methyltriazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 122140680
N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 86778313
(3S)-N-[(1S)-1-(1-morpholin-4-ylcyclopentyl)ethyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96526182
(2S)-3-[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-2-cyano-N-methyl-3-oxopropanamide
CID 98361607
1-(2-chlorophenyl)-5-methyl-N-(4-sulfamoylphenyl)triazole-4-carboxamide
CID 6493785
[1-(2-chlorophenyl)-5-methyltriazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488163
(2-chlorophenyl)-(1-morpholin-4-ylcyclopentyl)methanol
CID 79060021

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide (CID 167863952) is 1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide is Cc1c(C(=O)NC(C)C2(N3CCOCC3)CCCC2)nnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide?
The InChIKey is MNXMBYFUDHFKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O2/c1-15-19(24-25-27(15)18-8-4-3-7-17(18)22)20(28)23-16(2)21(9-5-6-10-21)26-11-13-29-14-12-26/h3-4,7-8,16H,5-6,9-14H2,1-2H3,(H,23,28).
What are the key properties of 1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide?
1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide has a molecular weight of 417.94 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-5-methyl-N-[1-(1-morpholin-4-ylcyclopentyl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 167863952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).