3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C19H29N5O2 — CID 134797750

IUPAC3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCC(=O)N1CCC(c2nnc3n2C(C(=O)NC2CCCCC2)CC3)CC1
InChIInChI=1S/C19H29N5O2/c1-13(25)23-11-9-14(10-12-23)18-22-21-17-8-7-16(24(17)18)19(26)20-15-5-3-2-4-6-15/h14-16H,2-12H2,1H3,(H,20,26)
InChIKeyQOPGOMIABDMCNR-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.94
Rot. Bonds3

About 3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134797750) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134797750
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCC(=O)N1CCC(c2nnc3n2C(C(=O)NC2CCCCC2)CC3)CC1
InChIInChI=1S/C19H29N5O2/c1-13(25)23-11-9-14(10-12-23)18-22-21-17-8-7-16(24(17)18)19(26)20-15-5-3-2-4-6-15/h14-16H,2-12H2,1H3,(H,20,26)
InChIKeyQOPGOMIABDMCNR-UHFFFAOYSA-N
XLogP1.94
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-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
2-acetamido-N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-N,3-dimethylbutanamide
CID 53521520
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
Sdccgsbi-0662644.P001
CID 118740491
3-tert-butyl-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740607
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
3-(acetamidomethyl)-N-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 134798160
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
2-amino-N,3-dimethyl-N-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl}butanamide
CID 54872748
[4-(4-Propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 53192618
[trans-3-(4-ethyl-5-{[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl}-4H-1,2,4-triazol-3-yl)cyclobutyl]amine
CID 91759670

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134797750) is 3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is CC(=O)N1CCC(c2nnc3n2C(C(=O)NC2CCCCC2)CC3)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is QOPGOMIABDMCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13(25)23-11-9-14(10-12-23)18-22-21-17-8-7-16(24(17)18)19(26)20-15-5-3-2-4-6-15/h14-16H,2-12H2,1H3,(H,20,26).
What are the key properties of 3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)-N-cyclohexyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134797750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).