2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide

C16H27N5O2 — CID 90542931

IUPAC2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C16H27N5O2/c1-3-8-17-14(22)11-20-9-6-12(7-10-20)15-18-19(2)16(23)21(15)13-4-5-13/h12-13H,3-11H2,1-2H3,(H,17,22)
InChIKeyHSGJWSXTICWQGD-UHFFFAOYSA-N
MW321.43 g/mol
LogP0.62
Rot. Bonds6

About 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide

2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide (PubChem CID 90542931) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide
PubChem CID90542931
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1
InChIInChI=1S/C16H27N5O2/c1-3-8-17-14(22)11-20-9-6-12(7-10-20)15-18-19(2)16(23)21(15)13-4-5-13/h12-13H,3-11H2,1-2H3,(H,17,22)
InChIKeyHSGJWSXTICWQGD-UHFFFAOYSA-N
XLogP0.62
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide (CID 90542931) is 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCC(c2nn(C)c(=O)n2C2CC2)CC1.
What is the InChIKey of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide?
The InChIKey is HSGJWSXTICWQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-3-8-17-14(22)11-20-9-6-12(7-10-20)15-18-19(2)16(23)21(15)13-4-5-13/h12-13H,3-11H2,1-2H3,(H,17,22).
What are the key properties of 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide?
2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide has a molecular weight of 321.43 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopropyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-propylacetamide is sourced from PubChem (CID 90542931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).