N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide

C14H23N5O2 — CID 118777330

IUPACN-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)Cn2ccnn2)CC1
InChIInChI=1S/C14H23N5O2/c1-11(2)9-14(21)18-6-3-12(4-7-18)16-13(20)10-19-8-5-15-17-19/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,16,20)
InChIKeyUEDLLWMLROOTHJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.43
Rot. Bonds5

About N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide

N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide (PubChem CID 118777330) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
PubChem CID118777330
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
SMILESCC(C)CC(=O)N1CCC(NC(=O)Cn2ccnn2)CC1
InChIInChI=1S/C14H23N5O2/c1-11(2)9-14(21)18-6-3-12(4-7-18)16-13(20)10-19-8-5-15-17-19/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,16,20)
InChIKeyUEDLLWMLROOTHJ-UHFFFAOYSA-N
XLogP0.43
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]-3-piperidinecarboxamide
CID 72876563
(3R*,5S*)-5-(pyrrolidin-1-ylcarbonyl)-N-[3-(1H-1,2,3-triazol-1-yl)propyl]piperidine-3-carboxamide
CID 72840780
1-methyl-N-[3-(triazol-1-yl)propyl]piperidine-3-carboxamide
CID 91797106
2-Methyl-1-[2-(triazol-1-ylmethyl)piperidin-1-yl]hexan-1-one
CID 121537186
tert-butyl (2R,3R)-2-methyl-3-[2-(triazol-1-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 132305461
N-[2-(triazol-1-yl)ethyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908989
N-[3-(triazol-1-yl)propyl]-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908990
N-piperidin-4-yl-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115348281
(4,4-Difluoropyrrolidin-2-yl)-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone;hydrochloride
CID 120955136
(4,4-Difluoropyrrolidin-2-yl)-[3-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 120955137
(4,4-Difluoropyrrolidin-2-yl)-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone;hydrochloride
CID 120955177
(4,4-Difluoropyrrolidin-2-yl)-[4-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 120955178

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide (CID 118777330) is N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide is CC(C)CC(=O)N1CCC(NC(=O)Cn2ccnn2)CC1.
What is the InChIKey of N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
The InChIKey is UEDLLWMLROOTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11(2)9-14(21)18-6-3-12(4-7-18)16-13(20)10-19-8-5-15-17-19/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,16,20).
What are the key properties of N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide has a molecular weight of 293.37 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 118777330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).