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

C19H33N5O2 — CID 121118001

IUPAC2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1
InChIInChI=1S/C19H33N5O2/c1-4-23(5-2)17(25)14-22-12-10-15(11-13-22)18-20-21(3)19(26)24(18)16-8-6-7-9-16/h15-16H,4-14H2,1-3H3
InChIKeyTVVZGGWCZTZJMR-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.74
Rot. Bonds6

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

2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide (PubChem CID 121118001) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide
PubChem CID121118001
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1
InChIInChI=1S/C19H33N5O2/c1-4-23(5-2)17(25)14-22-12-10-15(11-13-22)18-20-21(3)19(26)24(18)16-8-6-7-9-16/h15-16H,4-14H2,1-3H3
InChIKeyTVVZGGWCZTZJMR-UHFFFAOYSA-N
XLogP1.74
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide?
The IUPAC name of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide (CID 121118001) is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide is CCN(CC)C(=O)CN1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1.
What is the InChIKey of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide?
The InChIKey is TVVZGGWCZTZJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-4-23(5-2)17(25)14-22-12-10-15(11-13-22)18-20-21(3)19(26)24(18)16-8-6-7-9-16/h15-16H,4-14H2,1-3H3.
What are the key properties of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide?
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide has a molecular weight of 363.51 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N,N-diethylacetamide is sourced from PubChem (CID 121118001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).