N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide

C15H21N3O2 — CID 15592139

IUPACN-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(c2cccccc2=O)CC1
InChIInChI=1S/C15H21N3O2/c1-13(19)16-7-8-17-9-11-18(12-10-17)14-5-3-2-4-6-15(14)20/h2-6H,7-12H2,1H3,(H,16,19)
InChIKeySBGYDUQJCDLJLD-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.30
Rot. Bonds4

About N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide

N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide (PubChem CID 15592139) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide
PubChem CID15592139
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide
SMILESCC(=O)NCCN1CCN(c2cccccc2=O)CC1
InChIInChI=1S/C15H21N3O2/c1-13(19)16-7-8-17-9-11-18(12-10-17)14-5-3-2-4-6-15(14)20/h2-6H,7-12H2,1H3,(H,16,19)
InChIKeySBGYDUQJCDLJLD-UHFFFAOYSA-N
XLogP0.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide (CID 15592139) is N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide is CC(=O)NCCN1CCN(c2cccccc2=O)CC1.
What is the InChIKey of N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide?
The InChIKey is SBGYDUQJCDLJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-13(19)16-7-8-17-9-11-18(12-10-17)14-5-3-2-4-6-15(14)20/h2-6H,7-12H2,1H3,(H,16,19).
What are the key properties of N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide?
N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide has a molecular weight of 275.35 g/mol, XLogP of 0.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(7-oxocyclohepta-1,3,5-trien-1-yl)piperazin-1-yl]ethyl]acetamide is sourced from PubChem (CID 15592139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).