N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide

C12H19N5O2 — CID 118771727

IUPACN-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2n[nH]nc2C)CC1
InChIInChI=1S/C12H19N5O2/c1-8-11(15-16-14-8)12(19)13-7-10-3-5-17(6-4-10)9(2)18/h10H,3-7H2,1-2H3,(H,13,19)(H,14,15,16)
InChIKeyFKCXCHKNEIBMJK-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.10
Rot. Bonds3

About N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide

N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide (PubChem CID 118771727) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide
PubChem CID118771727
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide
SMILESCC(=O)N1CCC(CNC(=O)c2n[nH]nc2C)CC1
InChIInChI=1S/C12H19N5O2/c1-8-11(15-16-14-8)12(19)13-7-10-3-5-17(6-4-10)9(2)18/h10H,3-7H2,1-2H3,(H,13,19)(H,14,15,16)
InChIKeyFKCXCHKNEIBMJK-UHFFFAOYSA-N
XLogP0.10
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide?
The IUPAC name of N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide (CID 118771727) is N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide is CC(=O)N1CCC(CNC(=O)c2n[nH]nc2C)CC1.
What is the InChIKey of N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide?
The InChIKey is FKCXCHKNEIBMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8-11(15-16-14-8)12(19)13-7-10-3-5-17(6-4-10)9(2)18/h10H,3-7H2,1-2H3,(H,13,19)(H,14,15,16).
What are the key properties of N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide?
N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetylpiperidin-4-yl)methyl]-5-methyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 118771727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).