N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide

C12H21N5O — CID 114083895

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
SMILESCC1(C)CCCNC1CNC(=O)Cn1ccnn1
InChIInChI=1S/C12H21N5O/c1-12(2)4-3-5-13-10(12)8-14-11(18)9-17-7-6-15-16-17/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,14,18)
InChIKeyMIEBUVLNMVIRQU-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.17
Rot. Bonds4

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide

N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide (PubChem CID 114083895) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
PubChem CID114083895
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide
SMILESCC1(C)CCCNC1CNC(=O)Cn1ccnn1
InChIInChI=1S/C12H21N5O/c1-12(2)4-3-5-13-10(12)8-14-11(18)9-17-7-6-15-16-17/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,14,18)
InChIKeyMIEBUVLNMVIRQU-UHFFFAOYSA-N
XLogP0.17
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide 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

N-(pyrrolidin-2-ylmethyl)-2-(triazol-1-yl)acetamide
CID 81478292
N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
CID 120670926
2-tert-butylsulfanyl-N-[(3,3-dimethylpiperidin-2-yl)methyl]acetamide
CID 114083921
N-[(5,5-dimethylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 166289427
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,3,3-trifluoropropanamide
CID 114083886
N-(morpholin-3-ylmethyl)-2-(triazol-1-yl)acetamide
CID 103548678
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-pyrazol-1-ylpropanamide;dihydrochloride
CID 120670877
N-[(3,3-dimethylpiperidin-2-yl)methyl]-1-methylcyclopropane-1-carboxamide
CID 120670741
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120670985
1-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 113309078
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115348218
N-[(1-acetylpiperidin-3-yl)methyl]-2-(triazol-1-yl)acetamide
CID 119075119

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide (CID 114083895) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide is CC1(C)CCCNC1CNC(=O)Cn1ccnn1.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide?
The InChIKey is MIEBUVLNMVIRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-12(2)4-3-5-13-10(12)8-14-11(18)9-17-7-6-15-16-17/h6-7,10,13H,3-5,8-9H2,1-2H3,(H,14,18).
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide has a molecular weight of 251.33 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 114083895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).