N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide

C18H34N6O — CID 26398153

IUPACN-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide
SMILESCCC(CC)CN1CCC(n2cc(C(=O)NCCN(C)C)nn2)CC1
InChIInChI=1S/C18H34N6O/c1-5-15(6-2)13-23-10-7-16(8-11-23)24-14-17(20-21-24)18(25)19-9-12-22(3)4/h14-16H,5-13H2,1-4H3,(H,19,25)
InChIKeyXDENHZAIZIHPED-UHFFFAOYSA-N
MW350.51 g/mol
LogP1.64
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide (PubChem CID 26398153) has the molecular formula C18H34N6O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide
PubChem CID26398153
Molecular FormulaC18H34N6O
Molecular Weight350.51 g/mol
Exact Mass350.28
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide
SMILESCCC(CC)CN1CCC(n2cc(C(=O)NCCN(C)C)nn2)CC1
InChIInChI=1S/C18H34N6O/c1-5-15(6-2)13-23-10-7-16(8-11-23)24-14-17(20-21-24)18(25)19-9-12-22(3)4/h14-16H,5-13H2,1-4H3,(H,19,25)
InChIKeyXDENHZAIZIHPED-UHFFFAOYSA-N
XLogP1.64
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(dimethylamino)ethyl]-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]triazole-4-carboxamide
CID 26361715
N-[2-(dimethylamino)ethyl]-1-[1-[(3R)-3-phenylbutyl]piperidin-4-yl]triazole-4-carboxamide
CID 25364911
N-[2-[butan-2-yl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119874287
1-(4-aminocyclohexyl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]triazole-4-carboxamide
CID 70706077
N-[2-[cyclopropyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119863842
N-[3-(dipropylamino)propyl]-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119861207
1-(1-acetylpiperidin-4-yl)triazole-4-carbohydrazide
CID 135077480
N-[1-(2-methylpropyl)piperidin-4-yl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119841077
N-[2-[benzyl(methyl)amino]ethyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119862234
1-[1-(furan-3-ylmethyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
CID 26341086
N-(2-acetamidoethyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 63283255
1-(azetidin-3-yl)-N-[4-(dimethylamino)butan-2-yl]triazole-4-carboxamide
CID 79316138

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide (CID 26398153) is N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide is CCC(CC)CN1CCC(n2cc(C(=O)NCCN(C)C)nn2)CC1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide?
The InChIKey is XDENHZAIZIHPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N6O/c1-5-15(6-2)13-23-10-7-16(8-11-23)24-14-17(20-21-24)18(25)19-9-12-22(3)4/h14-16H,5-13H2,1-4H3,(H,19,25).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[1-(2-ethylbutyl)piperidin-4-yl]triazole-4-carboxamide is sourced from PubChem (CID 26398153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).