1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one

C17H26N4O — CID 46963061

IUPAC1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one
SMILESC=Cn1ncc(CN2CCN(C3CCCCC3)C(=O)C2)c1C
InChIInChI=1S/C17H26N4O/c1-3-21-14(2)15(11-18-21)12-19-9-10-20(17(22)13-19)16-7-5-4-6-8-16/h3,11,16H,1,4-10,12-13H2,2H3
InChIKeyKDTAPAARGZXLFA-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.27
Rot. Bonds4

About 1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one

1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one (PubChem CID 46963061) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one
PubChem CID46963061
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one
SMILESC=Cn1ncc(CN2CCN(C3CCCCC3)C(=O)C2)c1C
InChIInChI=1S/C17H26N4O/c1-3-21-14(2)15(11-18-21)12-19-9-10-20(17(22)13-19)16-7-5-4-6-8-16/h3,11,16H,1,4-10,12-13H2,2H3
InChIKeyKDTAPAARGZXLFA-UHFFFAOYSA-N
XLogP2.27
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one?
The IUPAC name of 1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one (CID 46963061) is 1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one is C=Cn1ncc(CN2CCN(C3CCCCC3)C(=O)C2)c1C.
What is the InChIKey of 1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one?
The InChIKey is KDTAPAARGZXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-21-14(2)15(11-18-21)12-19-9-10-20(17(22)13-19)16-7-5-4-6-8-16/h3,11,16H,1,4-10,12-13H2,2H3.
What are the key properties of 1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one?
1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one has a molecular weight of 302.42 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(1-ethenyl-5-methylpyrazol-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 46963061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).