(3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone

C12H16N2O — CID 54550279

IUPAC(3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone
SMILESC=C1C=C(C(=O)N2CCNCC2)C=CC1
InChIInChI=1S/C12H16N2O/c1-10-3-2-4-11(9-10)12(15)14-7-5-13-6-8-14/h2,4,9,13H,1,3,5-8H2
InChIKeyZJKBXOFIZCLZTF-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.86
Rot. Bonds1

About (3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone

(3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone (PubChem CID 54550279) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone
PubChem CID54550279
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone
SMILESC=C1C=C(C(=O)N2CCNCC2)C=CC1
InChIInChI=1S/C12H16N2O/c1-10-3-2-4-11(9-10)12(15)14-7-5-13-6-8-14/h2,4,9,13H,1,3,5-8H2
InChIKeyZJKBXOFIZCLZTF-UHFFFAOYSA-N
XLogP0.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone?
The IUPAC name of (3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone (CID 54550279) is (3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone is C=C1C=C(C(=O)N2CCNCC2)C=CC1.
What is the InChIKey of (3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone?
The InChIKey is ZJKBXOFIZCLZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-10-3-2-4-11(9-10)12(15)14-7-5-13-6-8-14/h2,4,9,13H,1,3,5-8H2.
What are the key properties of (3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone?
(3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone has a molecular weight of 204.27 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidenecyclohexa-1,5-dien-1-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 54550279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).