N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

C18H29N7O — CID 70752750

IUPACN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C18H29N7O/c1-23-13-10-20-17(23)7-5-11-24(2)18(26)16-14-25(22-21-16)12-8-15-6-3-4-9-19-15/h10,13-15,19H,3-9,11-12H2,1-2H3
InChIKeyBIGSMHLISKOWLS-UHFFFAOYSA-N
MW359.48 g/mol
LogP1.25
Rot. Bonds8

About N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide

N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (PubChem CID 70752750) has the molecular formula C18H29N7O and a molecular weight of 359.48 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
PubChem CID70752750
Molecular FormulaC18H29N7O
Molecular Weight359.48 g/mol
Exact Mass359.24
IUPAC NameN-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide
SMILESCN(CCCc1nccn1C)C(=O)c1cn(CCC2CCCCN2)nn1
InChIInChI=1S/C18H29N7O/c1-23-13-10-20-17(23)7-5-11-24(2)18(26)16-14-25(22-21-16)12-8-15-6-3-4-9-19-15/h10,13-15,19H,3-9,11-12H2,1-2H3
InChIKeyBIGSMHLISKOWLS-UHFFFAOYSA-N
XLogP1.25
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide (CID 70752750) is N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is CN(CCCc1nccn1C)C(=O)c1cn(CCC2CCCCN2)nn1.
What is the InChIKey of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
The InChIKey is BIGSMHLISKOWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N7O/c1-23-13-10-20-17(23)7-5-11-24(2)18(26)16-14-25(22-21-16)12-8-15-6-3-4-9-19-15/h10,13-15,19H,3-9,11-12H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide?
N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylimidazol-2-yl)propyl]-1-(2-piperidin-2-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 70752750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).