3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide

C11H21N5O — CID 90227128

IUPAC3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)CCC2=CNNN2)CC1
InChIInChI=1S/C11H21N5O/c1-16-6-4-9(5-7-16)13-11(17)3-2-10-8-12-15-14-10/h8-9,12,14-15H,2-7H2,1H3,(H,13,17)
InChIKeyKDQLJMBHIAWJQP-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.57
Rot. Bonds4

About 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide

3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 90227128) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID90227128
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide
SMILESCN1CCC(NC(=O)CCC2=CNNN2)CC1
InChIInChI=1S/C11H21N5O/c1-16-6-4-9(5-7-16)13-11(17)3-2-10-8-12-15-14-10/h8-9,12,14-15H,2-7H2,1H3,(H,13,17)
InChIKeyKDQLJMBHIAWJQP-UHFFFAOYSA-N
XLogP-0.57
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide 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-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide (CID 90227128) is 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide is CN1CCC(NC(=O)CCC2=CNNN2)CC1.
What is the InChIKey of 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is KDQLJMBHIAWJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-16-6-4-9(5-7-16)13-11(17)3-2-10-8-12-15-14-10/h8-9,12,14-15H,2-7H2,1H3,(H,13,17).
What are the key properties of 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide?
3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 239.32 g/mol, XLogP of -0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-triazol-4-yl)-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 90227128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).