1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide

C17H25N7O2 — CID 56717885

IUPAC1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCc1cnc(C(=O)N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)[nH]1
InChIInChI=1S/C17H25N7O2/c1-11(2)8-19-16(25)14-10-24(22-21-14)13-4-6-23(7-5-13)17(26)15-18-9-12(3)20-15/h9-11,13H,4-8H2,1-3H3,(H,18,20)(H,19,25)
InChIKeyBKWKZVMKABCPMP-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.17
Rot. Bonds5

About 1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide

1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide (PubChem CID 56717885) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide.

Molecular Properties

Compound Name1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
PubChem CID56717885
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC Name1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide
SMILESCc1cnc(C(=O)N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)[nH]1
InChIInChI=1S/C17H25N7O2/c1-11(2)8-19-16(25)14-10-24(22-21-14)13-4-6-23(7-5-13)17(26)15-18-9-12(3)20-15/h9-11,13H,4-8H2,1-3H3,(H,18,20)(H,19,25)
InChIKeyBKWKZVMKABCPMP-UHFFFAOYSA-N
XLogP1.17
TPSA108.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The IUPAC name of 1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide (CID 56717885) is 1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide.
What is the SMILES notation for 1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The canonical SMILES for 1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide is Cc1cnc(C(=O)N2CCC(n3cc(C(=O)NCC(C)C)nn3)CC2)[nH]1.
What is the InChIKey of 1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
The InChIKey is BKWKZVMKABCPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-11(2)8-19-16(25)14-10-24(22-21-14)13-4-6-23(7-5-13)17(26)15-18-9-12(3)20-15/h9-11,13H,4-8H2,1-3H3,(H,18,20)(H,19,25).
What are the key properties of 1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide?
1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methyl-1H-imidazole-2-carbonyl)piperidin-4-yl]-N-(2-methylpropyl)triazole-4-carboxamide is sourced from PubChem (CID 56717885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).