N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide

C12H19N5O2 — CID 94180666

IUPACN-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@H](c2nncn2C)C1
InChIInChI=1S/C12H19N5O2/c1-9(18)13-6-11(19)17-5-3-4-10(7-17)12-15-14-8-16(12)2/h8,10H,3-7H2,1-2H3,(H,13,18)/t10-/m0/s1
InChIKeyRRGUCGPIGJNBAD-JTQLQIEISA-N
MW265.32 g/mol
LogP-0.34
Rot. Bonds3

About N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 94180666) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID94180666
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCC[C@H](c2nncn2C)C1
InChIInChI=1S/C12H19N5O2/c1-9(18)13-6-11(19)17-5-3-4-10(7-17)12-15-14-8-16(12)2/h8,10H,3-7H2,1-2H3,(H,13,18)/t10-/m0/s1
InChIKeyRRGUCGPIGJNBAD-JTQLQIEISA-N
XLogP-0.34
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-oxo-2-[(3S)-3-(4-phenyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]acetamide
CID 95111479
4-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 79203756
5-hydroxy-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 79199865
5-chloro-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pentan-1-one
CID 54876034
ethyl 3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 61072127
3-amino-2-methyl-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 55104468
2-(1-adamantyl)-1-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 97142870
(3S)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 95278223
(1-aminocyclohexyl)-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 60964072
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 95129687
tert-butyl (3R)-3-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carboxylate
CID 124508791
(3R)-3-(4-methyl-1,2,4-triazol-3-yl)-N-(thiophen-2-ylmethyl)piperidine-1-carboxamide
CID 94172075

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide (CID 94180666) is N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC[C@H](c2nncn2C)C1.
What is the InChIKey of N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is RRGUCGPIGJNBAD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N5O2/c1-9(18)13-6-11(19)17-5-3-4-10(7-17)12-15-14-8-16(12)2/h8,10H,3-7H2,1-2H3,(H,13,18)/t10-/m0/s1.
What are the key properties of N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 265.32 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 94180666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).