4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one

C14H25N3O — CID 123304007

IUPAC4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one
SMILESC=C(C1CCC(N2CCNC(=O)C2)CC1)N(C)C
InChIInChI=1S/C14H25N3O/c1-11(16(2)3)12-4-6-13(7-5-12)17-9-8-15-14(18)10-17/h12-13H,1,4-10H2,2-3H3,(H,15,18)
InChIKeyVXLDSXYIASIMSL-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.05
Rot. Bonds3

About 4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one

4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one (PubChem CID 123304007) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one.

Molecular Properties

Compound Name4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one
PubChem CID123304007
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one
SMILESC=C(C1CCC(N2CCNC(=O)C2)CC1)N(C)C
InChIInChI=1S/C14H25N3O/c1-11(16(2)3)12-4-6-13(7-5-12)17-9-8-15-14(18)10-17/h12-13H,1,4-10H2,2-3H3,(H,15,18)
InChIKeyVXLDSXYIASIMSL-UHFFFAOYSA-N
XLogP1.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one?
The IUPAC name of 4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one (CID 123304007) is 4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one.
What is the SMILES notation for 4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one?
The canonical SMILES for 4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one is C=C(C1CCC(N2CCNC(=O)C2)CC1)N(C)C.
What is the InChIKey of 4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one?
The InChIKey is VXLDSXYIASIMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(16(2)3)12-4-6-13(7-5-12)17-9-8-15-14(18)10-17/h12-13H,1,4-10H2,2-3H3,(H,15,18).
What are the key properties of 4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one?
4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one has a molecular weight of 251.37 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(dimethylamino)ethenyl]cyclohexyl]piperazin-2-one is sourced from PubChem (CID 123304007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).