3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C16H25N5O2 — CID 118779679

IUPAC3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1n[nH]nc1C(=O)N1CCC(CCC(=O)N2CCCC2)CC1
InChIInChI=1S/C16H25N5O2/c1-12-15(18-19-17-12)16(23)21-10-6-13(7-11-21)4-5-14(22)20-8-2-3-9-20/h13H,2-11H2,1H3,(H,17,18,19)
InChIKeyWTBXXYSTKKOUKE-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.37
Rot. Bonds4

About 3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 118779679) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID118779679
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1n[nH]nc1C(=O)N1CCC(CCC(=O)N2CCCC2)CC1
InChIInChI=1S/C16H25N5O2/c1-12-15(18-19-17-12)16(23)21-10-6-13(7-11-21)4-5-14(22)20-8-2-3-9-20/h13H,2-11H2,1H3,(H,17,18,19)
InChIKeyWTBXXYSTKKOUKE-UHFFFAOYSA-N
XLogP1.37
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one 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 3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 118779679) is 3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is Cc1n[nH]nc1C(=O)N1CCC(CCC(=O)N2CCCC2)CC1.
What is the InChIKey of 3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is WTBXXYSTKKOUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-12-15(18-19-17-12)16(23)21-10-6-13(7-11-21)4-5-14(22)20-8-2-3-9-20/h13H,2-11H2,1H3,(H,17,18,19).
What are the key properties of 3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 319.41 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methyl-2H-triazole-4-carbonyl)piperidin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 118779679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).