N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide

C18H29N7O2 — CID 70711368

IUPACN-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCC(C)c1nc(CCN(C)C(=O)c2cn(CCC3CCCCN3)nn2)no1
InChIInChI=1S/C18H29N7O2/c1-13(2)17-20-16(22-27-17)8-10-24(3)18(26)15-12-25(23-21-15)11-7-14-6-4-5-9-19-14/h12-14,19H,4-11H2,1-3H3
InChIKeyLMBZYUBUMAZMQV-UHFFFAOYSA-N
MW375.48 g/mol
LogP1.63
Rot. Bonds8

About N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide

N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide (PubChem CID 70711368) has the molecular formula C18H29N7O2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
PubChem CID70711368
Molecular FormulaC18H29N7O2
Molecular Weight375.48 g/mol
Exact Mass375.24
IUPAC NameN-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide
SMILESCC(C)c1nc(CCN(C)C(=O)c2cn(CCC3CCCCN3)nn2)no1
InChIInChI=1S/C18H29N7O2/c1-13(2)17-20-16(22-27-17)8-10-24(3)18(26)15-12-25(23-21-15)11-7-14-6-4-5-9-19-14/h12-14,19H,4-11H2,1-3H3
InChIKeyLMBZYUBUMAZMQV-UHFFFAOYSA-N
XLogP1.63
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide (CID 70711368) is N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide is CC(C)c1nc(CCN(C)C(=O)c2cn(CCC3CCCCN3)nn2)no1.
What is the InChIKey of N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
The InChIKey is LMBZYUBUMAZMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O2/c1-13(2)17-20-16(22-27-17)8-10-24(3)18(26)15-12-25(23-21-15)11-7-14-6-4-5-9-19-14/h12-14,19H,4-11H2,1-3H3.
What are the key properties of N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide?
N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-piperidin-2-ylethyl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 70711368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).