3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C23H38N6O2 — CID 134797360

IUPAC3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(c2nnc3n2C(C(=O)NCC2CCCCC2)CC3)CC1
InChIInChI=1S/C23H38N6O2/c1-23(2,3)25-22(31)28-13-11-17(12-14-28)20-27-26-19-10-9-18(29(19)20)21(30)24-15-16-7-5-4-6-8-16/h16-18H,4-15H2,1-3H3,(H,24,30)(H,25,31)
InChIKeyITPKXSVULKNZGR-UHFFFAOYSA-N
MW430.60 g/mol
LogP3.15
Rot. Bonds4

About 3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134797360) has the molecular formula C23H38N6O2 and a molecular weight of 430.60 g/mol. Its IUPAC name is 3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134797360
Molecular FormulaC23H38N6O2
Molecular Weight430.60 g/mol
Exact Mass430.31
IUPAC Name3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(c2nnc3n2C(C(=O)NCC2CCCCC2)CC3)CC1
InChIInChI=1S/C23H38N6O2/c1-23(2,3)25-22(31)28-13-11-17(12-14-28)20-27-26-19-10-9-18(29(19)20)21(30)24-15-16-7-5-4-6-8-16/h16-18H,4-15H2,1-3H3,(H,24,30)(H,25,31)
InChIKeyITPKXSVULKNZGR-UHFFFAOYSA-N
XLogP3.15
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide 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

3-cyclohexyl-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 53516626
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56913790
N,N-dimethyl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740609
Sdccgsbi-0662665.P001
CID 118740610
1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone
CID 134796352
[4-(4-Propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 53192618
N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134790686
CID 134796010
CID 134796010
N-[[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide
CID 134796655
N-cycloheptyl-3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134796769
4-[5-(4-acetylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-N-tert-butylpiperidine-1-carboxamide
CID 134797172
N-[[5-(4-methylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]methyl]acetamide
CID 134797298

Frequently Asked Questions

What is the IUPAC name of 3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of 3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134797360) is 3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for 3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for 3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is CC(C)(C)NC(=O)N1CCC(c2nnc3n2C(C(=O)NCC2CCCCC2)CC3)CC1.
What is the InChIKey of 3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is ITPKXSVULKNZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N6O2/c1-23(2,3)25-22(31)28-13-11-17(12-14-28)20-27-26-19-10-9-18(29(19)20)21(30)24-15-16-7-5-4-6-8-16/h16-18H,4-15H2,1-3H3,(H,24,30)(H,25,31).
What are the key properties of 3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 430.60 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(tert-butylcarbamoyl)piperidin-4-yl]-N-(cyclohexylmethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134797360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).