N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

C17H30N6O2 — CID 119868873

IUPACN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCOC(C)(C)C2)nnn1C1CCNCC1
InChIInChI=1S/C17H30N6O2/c1-13-15(20-21-23(13)14-4-6-18-7-5-14)16(24)19-8-9-22-10-11-25-17(2,3)12-22/h14,18H,4-12H2,1-3H3,(H,19,24)
InChIKeyQZJVAVJSMCXRRE-UHFFFAOYSA-N
MW350.47 g/mol
LogP0.35
Rot. Bonds5

About N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide

N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (PubChem CID 119868873) has the molecular formula C17H30N6O2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
PubChem CID119868873
Molecular FormulaC17H30N6O2
Molecular Weight350.47 g/mol
Exact Mass350.24
IUPAC NameN-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide
SMILESCc1c(C(=O)NCCN2CCOC(C)(C)C2)nnn1C1CCNCC1
InChIInChI=1S/C17H30N6O2/c1-13-15(20-21-23(13)14-4-6-18-7-5-14)16(24)19-8-9-22-10-11-25-17(2,3)12-22/h14,18H,4-12H2,1-3H3,(H,19,24)
InChIKeyQZJVAVJSMCXRRE-UHFFFAOYSA-N
XLogP0.35
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide (CID 119868873) is N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is Cc1c(C(=O)NCCN2CCOC(C)(C)C2)nnn1C1CCNCC1.
What is the InChIKey of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
The InChIKey is QZJVAVJSMCXRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O2/c1-13-15(20-21-23(13)14-4-6-18-7-5-14)16(24)19-8-9-22-10-11-25-17(2,3)12-22/h14,18H,4-12H2,1-3H3,(H,19,24).
What are the key properties of N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide?
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-5-methyl-1-piperidin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 119868873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).