1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one

C17H30N6O — CID 138808754

IUPAC1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one
SMILESCC(C)N1CC(CN2CCN(CCn3cncn3)CC2)CCC1=O
InChIInChI=1S/C17H30N6O/c1-15(2)23-12-16(3-4-17(23)24)11-21-7-5-20(6-8-21)9-10-22-14-18-13-19-22/h13-16H,3-12H2,1-2H3
InChIKeyPXNNVCDKTKJTFK-UHFFFAOYSA-N
MW334.47 g/mol
LogP0.54
Rot. Bonds6

About 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one

1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one (PubChem CID 138808754) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one
PubChem CID138808754
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC Name1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one
SMILESCC(C)N1CC(CN2CCN(CCn3cncn3)CC2)CCC1=O
InChIInChI=1S/C17H30N6O/c1-15(2)23-12-16(3-4-17(23)24)11-21-7-5-20(6-8-21)9-10-22-14-18-13-19-22/h13-16H,3-12H2,1-2H3
InChIKeyPXNNVCDKTKJTFK-UHFFFAOYSA-N
XLogP0.54
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one?
The IUPAC name of 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one (CID 138808754) is 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one.
What is the SMILES notation for 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one?
The canonical SMILES for 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one is CC(C)N1CC(CN2CCN(CCn3cncn3)CC2)CCC1=O.
What is the InChIKey of 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one?
The InChIKey is PXNNVCDKTKJTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-15(2)23-12-16(3-4-17(23)24)11-21-7-5-20(6-8-21)9-10-22-14-18-13-19-22/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one?
1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one has a molecular weight of 334.47 g/mol, XLogP of 0.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-[[4-[2-(1,2,4-triazol-1-yl)ethyl]piperazin-1-yl]methyl]piperidin-2-one is sourced from PubChem (CID 138808754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).