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

C13H21N5O2 — CID 118779238

IUPACN-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
SMILESCC(C)C(=O)N1CCC(NC(=O)Cn2ccnn2)CC1
InChIInChI=1S/C13H21N5O2/c1-10(2)13(20)17-6-3-11(4-7-17)15-12(19)9-18-8-5-14-16-18/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,15,19)
InChIKeyRBPCYEMXJBIJSB-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.04
Rot. Bonds4

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

N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide (PubChem CID 118779238) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
PubChem CID118779238
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
SMILESCC(C)C(=O)N1CCC(NC(=O)Cn2ccnn2)CC1
InChIInChI=1S/C13H21N5O2/c1-10(2)13(20)17-6-3-11(4-7-17)15-12(19)9-18-8-5-14-16-18/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,15,19)
InChIKeyRBPCYEMXJBIJSB-UHFFFAOYSA-N
XLogP0.04
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide
CID 127417394
N-cycloheptyl-2-(triazol-1-yl)acetamide
CID 154733961
N-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-2-(triazol-1-yl)acetamide
CID 126453543
N-(azepan-4-yl)-2-(triazol-1-yl)acetamide
CID 105059311
N-(2-methylpiperidin-4-yl)-2-(triazol-1-yl)acetamide
CID 106995465
N-propan-2-yl-2-(triazol-1-yl)acetamide
CID 79807214
N-(2-aminocyclopentyl)-2-(triazol-1-yl)acetamide
CID 115348385
N-[(1R,2R)-2-aminocyclohexyl]-2-(triazol-1-yl)acetamide
CID 103805775
2-methylpropyl N-[1-(2-methylpropanoyl)piperidin-4-yl]carbamate
CID 108567264
2-(2-methylindol-1-yl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 30855548
2-(1-aminocyclopentyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 64686035
2-(3-fluorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
CID 32541358

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
The IUPAC name of N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide (CID 118779238) is N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide is CC(C)C(=O)N1CCC(NC(=O)Cn2ccnn2)CC1.
What is the InChIKey of N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
The InChIKey is RBPCYEMXJBIJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-10(2)13(20)17-6-3-11(4-7-17)15-12(19)9-18-8-5-14-16-18/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,15,19).
What are the key properties of N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide?
N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropanoyl)piperidin-4-yl]-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 118779238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).