2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide

C13H23N5O — CID 83032301

IUPAC2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide
SMILESCn1cnnc1CNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C13H23N5O/c1-13(2,10-5-4-6-14-7-10)12(19)15-8-11-17-16-9-18(11)3/h9-10,14H,4-8H2,1-3H3,(H,15,19)
InChIKeyMOCIAOJTDWPKFH-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.46
Rot. Bonds4

About 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide

2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide (PubChem CID 83032301) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide
PubChem CID83032301
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide
SMILESCn1cnnc1CNC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C13H23N5O/c1-13(2,10-5-4-6-14-7-10)12(19)15-8-11-17-16-9-18(11)3/h9-10,14H,4-8H2,1-3H3,(H,15,19)
InChIKeyMOCIAOJTDWPKFH-UHFFFAOYSA-N
XLogP0.46
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-piperidin-3-ylpropanamide
CID 83199626
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
(2S)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 61164033
2-methyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-2-piperidin-3-ylpropanamide
CID 106381229
2,2-dimethyl-3-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-3-oxopropanoic acid
CID 82821195
2-methyl-N-(1-methylpyrazol-4-yl)-2-piperidin-3-ylpropanamide
CID 83031621
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031355
2,2-dimethyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanamide
CID 103884926
2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]-2-piperidin-3-ylpropanamide
CID 115881604
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731
2-(azetidin-3-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
CID 116676800
(2R)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidine-2-carboxamide
CID 93429180

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide?
The IUPAC name of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide (CID 83032301) is 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide?
The canonical SMILES for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide is Cn1cnnc1CNC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide?
The InChIKey is MOCIAOJTDWPKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-13(2,10-5-4-6-14-7-10)12(19)15-8-11-17-16-9-18(11)3/h9-10,14H,4-8H2,1-3H3,(H,15,19).
What are the key properties of 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide?
2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide has a molecular weight of 265.36 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-piperidin-3-ylpropanamide is sourced from PubChem (CID 83032301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).