N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide

C18H25N5O — CID 100596520

IUPACN-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
SMILESC[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1cnc(-c2ccccc2)n1
InChIInChI=1S/C18H25N5O/c1-14-11-21(2)10-9-16(14)22(3)17(24)12-23-13-19-18(20-23)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyGGIIWYJYKAQJQT-GDBMZVCRSA-N
MW327.43 g/mol
LogP1.74
Rot. Bonds4

About N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide

N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 100596520) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
PubChem CID100596520
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide
SMILESC[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1cnc(-c2ccccc2)n1
InChIInChI=1S/C18H25N5O/c1-14-11-21(2)10-9-16(14)22(3)17(24)12-23-13-19-18(20-23)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/t14-,16-/m1/s1
InChIKeyGGIIWYJYKAQJQT-GDBMZVCRSA-N
XLogP1.74
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-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

5-bromo-N-[2-[[(3R,4S)-1,3-dimethylpiperidin-4-yl]-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 96508441
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(2-oxopiperazin-1-yl)acetamide
CID 125146001
N-(1,3-dimethylpiperidin-4-yl)-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 111540189
N-[(3R,4S)-1-benzyl-3-methylpiperidin-4-yl]-N-methyl-2-(methylamino)acetamide
CID 125145982
1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-1-methyl-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]urea
CID 99849044
3-[1-(3-cyanopropyl)pyrazol-3-yl]-1-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-1-methylurea
CID 124856814
1-(1,3-dimethylpiperidin-4-yl)-1-methyl-3-(3-phenoxybutan-2-yl)urea
CID 75425276
4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide
CID 136513710
N-cyclohexyl-N-methyl-3-phenyl-1,2,4-triazole-1-carboxamide
CID 66681847
1-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-3-(2-methoxyphenyl)-1-methylurea
CID 95784313
N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]-2-ethoxy-N-methylacetamide
CID 124730164
1-(1,3-dimethylpiperidin-4-yl)-3-(2-methoxyphenyl)-1-methylurea
CID 86768670

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide (CID 100596520) is N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide is C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)Cn1cnc(-c2ccccc2)n1.
What is the InChIKey of N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is GGIIWYJYKAQJQT-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-11-21(2)10-9-16(14)22(3)17(24)12-23-13-19-18(20-23)15-7-5-4-6-8-15/h4-8,13-14,16H,9-12H2,1-3H3/t14-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide?
N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 327.43 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-N-methyl-2-(3-phenyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 100596520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).