2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

C19H32N6O2 — CID 120643599

IUPAC2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCC(NC(=O)CC1CCCCC1)C(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C19H32N6O2/c1-13(21-16(26)12-14-6-4-3-5-7-14)18(27)23-19-22-17(24-25(19)2)15-8-10-20-11-9-15/h13-15,20H,3-12H2,1-2H3,(H,21,26)(H,22,23,24,27)
InChIKeyCGPFTVTXGQYOMQ-UHFFFAOYSA-N
MW376.51 g/mol
LogP1.70
Rot. Bonds6

About 2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide

2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (PubChem CID 120643599) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
PubChem CID120643599
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
SMILESCC(NC(=O)CC1CCCCC1)C(=O)Nc1nc(C2CCNCC2)nn1C
InChIInChI=1S/C19H32N6O2/c1-13(21-16(26)12-14-6-4-3-5-7-14)18(27)23-19-22-17(24-25(19)2)15-8-10-20-11-9-15/h13-15,20H,3-12H2,1-2H3,(H,21,26)(H,22,23,24,27)
InChIKeyCGPFTVTXGQYOMQ-UHFFFAOYSA-N
XLogP1.70
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide with MolForge

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Related Compounds

3-cyclohexyl-2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120644548
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclooctanecarboxamide
CID 120642628
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)cyclohexanecarboxamide;hydrochloride
CID 120641896
2-(2,2-dimethylcyclohexyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide;hydrochloride
CID 120643519
3-cyclopentylsulfonyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide
CID 120642177
2-(2,6-difluorophenyl)-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide;hydrochloride
CID 120642449
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-propylsulfanylacetamide;hydrochloride
CID 120645027
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-3-(4-propan-2-ylphenyl)propanamide
CID 120643034
2-methyl-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-4-phenoxybutanamide
CID 120642009
4-methoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)butanamide;hydrochloride
CID 120642134
2-butoxy-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)acetamide
CID 120642686
N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 120644245

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide (CID 120643599) is 2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is CC(NC(=O)CC1CCCCC1)C(=O)Nc1nc(C2CCNCC2)nn1C.
What is the InChIKey of 2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is CGPFTVTXGQYOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-13(21-16(26)12-14-6-4-3-5-7-14)18(27)23-19-22-17(24-25(19)2)15-8-10-20-11-9-15/h13-15,20H,3-12H2,1-2H3,(H,21,26)(H,22,23,24,27).
What are the key properties of 2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide?
2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 376.51 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexylacetyl)amino]-N-(2-methyl-5-piperidin-4-yl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 120643599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).