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

C12H21N3O2 — CID 108913177

IUPAC4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC=C2CCOCC2)CC1
InChIInChI=1S/C12H21N3O2/c1-14-4-6-15(7-5-14)12(16)13-10-11-2-8-17-9-3-11/h10H,2-9H2,1H3,(H,13,16)
InChIKeyZCXZHOAAIKTYRY-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.64
Rot. Bonds1

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

4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide (PubChem CID 108913177) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide
PubChem CID108913177
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC=C2CCOCC2)CC1
InChIInChI=1S/C12H21N3O2/c1-14-4-6-15(7-5-14)12(16)13-10-11-2-8-17-9-3-11/h10H,2-9H2,1H3,(H,13,16)
InChIKeyZCXZHOAAIKTYRY-UHFFFAOYSA-N
XLogP0.64
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide (CID 108913177) is 4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide is CN1CCN(C(=O)NC=C2CCOCC2)CC1.
What is the InChIKey of 4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
The InChIKey is ZCXZHOAAIKTYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14-4-6-15(7-5-14)12(16)13-10-11-2-8-17-9-3-11/h10H,2-9H2,1H3,(H,13,16).
What are the key properties of 4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108913177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).