N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide

C20H31N5O3 — CID 121070045

IUPACN-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide
SMILESCn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C20H31N5O3/c1-23-18(14-9-11-24(12-10-14)19(27)15-7-8-15)22-25(20(23)28)13-17(26)21-16-5-3-2-4-6-16/h14-16H,2-13H2,1H3,(H,21,26)
InChIKeyXFGRSADZGCGYFT-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.15
Rot. Bonds5

About N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide

N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide (PubChem CID 121070045) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide
PubChem CID121070045
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC NameN-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide
SMILESCn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)NC2CCCCC2)c1=O
InChIInChI=1S/C20H31N5O3/c1-23-18(14-9-11-24(12-10-14)19(27)15-7-8-15)22-25(20(23)28)13-17(26)21-16-5-3-2-4-6-16/h14-16H,2-13H2,1H3,(H,21,26)
InChIKeyXFGRSADZGCGYFT-UHFFFAOYSA-N
XLogP1.15
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-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

2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(4-nitrophenyl)acetamide
CID 121070037
N-(3-chlorophenyl)-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide
CID 121070024
2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 121070014
5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,4-triazol-3-one
CID 121069978
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920121
N-cyclohexyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
CID 46959237
N-cycloheptyl-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944377
[4-[5-(azepan-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-cyclopropylmethanone
CID 72907262
cycloheptyl-[4-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70750964
N-cyclohexyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941929
N-cycloheptyl-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108941998
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide (CID 121070045) is N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide is Cn1c(C2CCN(C(=O)C3CC3)CC2)nn(CC(=O)NC2CCCCC2)c1=O.
What is the InChIKey of N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide?
The InChIKey is XFGRSADZGCGYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-23-18(14-9-11-24(12-10-14)19(27)15-7-8-15)22-25(20(23)28)13-17(26)21-16-5-3-2-4-6-16/h14-16H,2-13H2,1H3,(H,21,26).
What are the key properties of N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide?
N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[3-[1-(cyclopropanecarbonyl)piperidin-4-yl]-4-methyl-5-oxo-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 121070045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).