4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide

C13H21N3O3 — CID 108913121

IUPAC4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NC=C2CCOCC2)CC1
InChIInChI=1S/C13H21N3O3/c1-11(17)15-4-6-16(7-5-15)13(18)14-10-12-2-8-19-9-3-12/h10H,2-9H2,1H3,(H,14,18)
InChIKeyIOPNAXBPHPZIJY-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.55
Rot. Bonds1

About 4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide

4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide (PubChem CID 108913121) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide
PubChem CID108913121
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NC=C2CCOCC2)CC1
InChIInChI=1S/C13H21N3O3/c1-11(17)15-4-6-16(7-5-15)13(18)14-10-12-2-8-19-9-3-12/h10H,2-9H2,1H3,(H,14,18)
InChIKeyIOPNAXBPHPZIJY-UHFFFAOYSA-N
XLogP0.55
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide (CID 108913121) is 4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)NC=C2CCOCC2)CC1.
What is the InChIKey of 4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
The InChIKey is IOPNAXBPHPZIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-11(17)15-4-6-16(7-5-15)13(18)14-10-12-2-8-19-9-3-12/h10H,2-9H2,1H3,(H,14,18).
What are the key properties of 4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108913121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).