N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide

C12H20N6O2 — CID 43603166

IUPACN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(C)CC(=O)N1CCNCC1)n1cncn1
InChIInChI=1S/C12H20N6O2/c1-10(18-9-14-8-15-18)12(20)16(2)7-11(19)17-5-3-13-4-6-17/h8-10,13H,3-7H2,1-2H3
InChIKeyJROALHAZIBPDQL-UHFFFAOYSA-N
MW280.33 g/mol
LogP-1.27
Rot. Bonds4

About N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide

N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide (PubChem CID 43603166) has the molecular formula C12H20N6O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
PubChem CID43603166
Molecular FormulaC12H20N6O2
Molecular Weight280.33 g/mol
Exact Mass280.16
IUPAC NameN-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
SMILESCC(C(=O)N(C)CC(=O)N1CCNCC1)n1cncn1
InChIInChI=1S/C12H20N6O2/c1-10(18-9-14-8-15-18)12(20)16(2)7-11(19)17-5-3-13-4-6-17/h8-10,13H,3-7H2,1-2H3
InChIKeyJROALHAZIBPDQL-UHFFFAOYSA-N
XLogP-1.27
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 45823979
N-(2-piperidin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 45893430
1-Morpholin-4-yl-2-(1,2,4-triazol-1-yl)propan-1-one
CID 51076698
1-(4-Propan-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53500648
1-(4-Acetyl-1,4-diazepan-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53517310
N-(3-morpholin-4-ylpropyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53518710
N-(2-morpholin-4-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide
CID 53522715
1-(4-Acetylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 53525550
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 53575276
N-(1-ethylpiperidin-4-yl)-2-[2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]acetamide
CID 53587759
N-(2-acetamidoethyl)-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 56802650
4-acetyl-N-[3-(1,2,4-triazol-1-yl)propyl]-1,4-diazepane-1-carboxamide
CID 71893357

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide (CID 43603166) is N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide is CC(C(=O)N(C)CC(=O)N1CCNCC1)n1cncn1.
What is the InChIKey of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is JROALHAZIBPDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O2/c1-10(18-9-14-8-15-18)12(20)16(2)7-11(19)17-5-3-13-4-6-17/h8-10,13H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide?
N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 280.33 g/mol, XLogP of -1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)-2-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 43603166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).