4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide

C13H25N5O — CID 90227122

IUPAC4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide
SMILESCN1CCC(CNC(=O)CCCC2=CNNN2)CC1
InChIInChI=1S/C13H25N5O/c1-18-7-5-11(6-8-18)9-14-13(19)4-2-3-12-10-15-17-16-12/h10-11,15-17H,2-9H2,1H3,(H,14,19)
InChIKeyFFECYQCAJRPMBK-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.07
Rot. Bonds6

About 4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide

4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide (PubChem CID 90227122) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide
PubChem CID90227122
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide
SMILESCN1CCC(CNC(=O)CCCC2=CNNN2)CC1
InChIInChI=1S/C13H25N5O/c1-18-7-5-11(6-8-18)9-14-13(19)4-2-3-12-10-15-17-16-12/h10-11,15-17H,2-9H2,1H3,(H,14,19)
InChIKeyFFECYQCAJRPMBK-UHFFFAOYSA-N
XLogP0.07
TPSA68.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide 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 4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The IUPAC name of 4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide (CID 90227122) is 4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide.
What is the SMILES notation for 4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The canonical SMILES for 4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide is CN1CCC(CNC(=O)CCCC2=CNNN2)CC1.
What is the InChIKey of 4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
The InChIKey is FFECYQCAJRPMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-18-7-5-11(6-8-18)9-14-13(19)4-2-3-12-10-15-17-16-12/h10-11,15-17H,2-9H2,1H3,(H,14,19).
What are the key properties of 4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide?
4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide has a molecular weight of 267.38 g/mol, XLogP of 0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-triazol-4-yl)-N-[(1-methylpiperidin-4-yl)methyl]butanamide is sourced from PubChem (CID 90227122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).