cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone

C10H14N2O — CID 23543763

IUPACcyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone
SMILESO=C(C1=CC=CC1)N1CCNCC1
InChIInChI=1S/C10H14N2O/c13-10(9-3-1-2-4-9)12-7-5-11-6-8-12/h1-3,11H,4-8H2
InChIKeyIJGJGEZQYRADHH-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.30
Rot. Bonds1

About cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone

cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone (PubChem CID 23543763) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone.

Molecular Properties

Compound Namecyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone
PubChem CID23543763
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Namecyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone
SMILESO=C(C1=CC=CC1)N1CCNCC1
InChIInChI=1S/C10H14N2O/c13-10(9-3-1-2-4-9)12-7-5-11-6-8-12/h1-3,11H,4-8H2
InChIKeyIJGJGEZQYRADHH-UHFFFAOYSA-N
XLogP0.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone?
The IUPAC name of cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone (CID 23543763) is cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone.
What is the SMILES notation for cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone?
The canonical SMILES for cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone is O=C(C1=CC=CC1)N1CCNCC1.
What is the InChIKey of cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone?
The InChIKey is IJGJGEZQYRADHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c13-10(9-3-1-2-4-9)12-7-5-11-6-8-12/h1-3,11H,4-8H2.
What are the key properties of cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone?
cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone has a molecular weight of 178.24 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-dien-1-yl(piperazin-1-yl)methanone is sourced from PubChem (CID 23543763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).