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

C18H29N5O2 — CID 121118004

IUPAC2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-3-10-19-16(24)13-22-11-8-14(9-12-22)17-20-21(2)18(25)23(17)15-6-4-5-7-15/h3,14-15H,1,4-13H2,2H3,(H,19,24)
InChIKeyCLUVCGXVZMJIJT-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.18
Rot. Bonds6

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

2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 121118004) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID121118004
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(c2nn(C)c(=O)n2C2CCCC2)CC1
InChIInChI=1S/C18H29N5O2/c1-3-10-19-16(24)13-22-11-8-14(9-12-22)17-20-21(2)18(25)23(17)15-6-4-5-7-15/h3,14-15H,1,4-13H2,2H3,(H,19,24)
InChIKeyCLUVCGXVZMJIJT-UHFFFAOYSA-N
XLogP1.18
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-prop-2-enylacetamide?
The IUPAC name of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide (CID 121118004) is 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=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-prop-2-enylacetamide?
The InChIKey is CLUVCGXVZMJIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-10-19-16(24)13-22-11-8-14(9-12-22)17-20-21(2)18(25)23(17)15-6-4-5-7-15/h3,14-15H,1,4-13H2,2H3,(H,19,24).
What are the key properties of 2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide?
2-[4-(4-cyclopentyl-1-methyl-5-oxo-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 347.46 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 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-prop-2-enylacetamide is sourced from PubChem (CID 121118004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).