4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide

C17H29N7O2 — CID 127741278

IUPAC4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)Nc3ncnn3C)CC2)C1
InChIInChI=1S/C17H29N7O2/c1-13-8-14(2)10-24(9-13)15(25)11-22-4-6-23(7-5-22)17(26)20-16-18-12-19-21(16)3/h12-14H,4-11H2,1-3H3,(H,18,19,20,26)
InChIKeyJWXJNVIUOAMNAJ-UHFFFAOYSA-N
MW363.47 g/mol
LogP0.47
Rot. Bonds3

About 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide

4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide (PubChem CID 127741278) has the molecular formula C17H29N7O2 and a molecular weight of 363.47 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
PubChem CID127741278
Molecular FormulaC17H29N7O2
Molecular Weight363.47 g/mol
Exact Mass363.24
IUPAC Name4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide
SMILESCC1CC(C)CN(C(=O)CN2CCN(C(=O)Nc3ncnn3C)CC2)C1
InChIInChI=1S/C17H29N7O2/c1-13-8-14(2)10-24(9-13)15(25)11-22-4-6-23(7-5-22)17(26)20-16-18-12-19-21(16)3/h12-14H,4-11H2,1-3H3,(H,18,19,20,26)
InChIKeyJWXJNVIUOAMNAJ-UHFFFAOYSA-N
XLogP0.47
TPSA86.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide (CID 127741278) is 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide is CC1CC(C)CN(C(=O)CN2CCN(C(=O)Nc3ncnn3C)CC2)C1.
What is the InChIKey of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
The InChIKey is JWXJNVIUOAMNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N7O2/c1-13-8-14(2)10-24(9-13)15(25)11-22-4-6-23(7-5-22)17(26)20-16-18-12-19-21(16)3/h12-14H,4-11H2,1-3H3,(H,18,19,20,26).
What are the key properties of 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide?
4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide has a molecular weight of 363.47 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methyl-1,2,4-triazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 127741278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).