N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C20H36N6O2 — CID 119841658

IUPACN-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC(CC)C(CNC(=O)c1nnn(C2CCNCC2)c1C)N1CCOCC1
InChIInChI=1S/C20H36N6O2/c1-4-16(5-2)18(25-10-12-28-13-11-25)14-22-20(27)19-15(3)26(24-23-19)17-6-8-21-9-7-17/h16-18,21H,4-14H2,1-3H3,(H,22,27)
InChIKeyBCDZBRNDJHTXMO-UHFFFAOYSA-N
MW392.55 g/mol
LogP1.38
Rot. Bonds8

About N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119841658) has the molecular formula C20H36N6O2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119841658
Molecular FormulaC20H36N6O2
Molecular Weight392.55 g/mol
Exact Mass392.29
IUPAC NameN-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCCC(CC)C(CNC(=O)c1nnn(C2CCNCC2)c1C)N1CCOCC1
InChIInChI=1S/C20H36N6O2/c1-4-16(5-2)18(25-10-12-28-13-11-25)14-22-20(27)19-15(3)26(24-23-19)17-6-8-21-9-7-17/h16-18,21H,4-14H2,1-3H3,(H,22,27)
InChIKeyBCDZBRNDJHTXMO-UHFFFAOYSA-N
XLogP1.38
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119841658) is N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is CCC(CC)C(CNC(=O)c1nnn(C2CCNCC2)c1C)N1CCOCC1.
What is the InChIKey of N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is BCDZBRNDJHTXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N6O2/c1-4-16(5-2)18(25-10-12-28-13-11-25)14-22-20(27)19-15(3)26(24-23-19)17-6-8-21-9-7-17/h16-18,21H,4-14H2,1-3H3,(H,22,27).
What are the key properties of N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 392.55 g/mol, XLogP of 1.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-morpholin-4-ylpentyl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119841658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).