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

C11H19N3O2 — CID 108913064

IUPACN-(oxan-4-ylidenemethyl)piperazine-1-carboxamide
SMILESO=C(NC=C1CCOCC1)N1CCNCC1
InChIInChI=1S/C11H19N3O2/c15-11(14-5-3-12-4-6-14)13-9-10-1-7-16-8-2-10/h9,12H,1-8H2,(H,13,15)
InChIKeyOGNHBUUCNOFSAM-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.30
Rot. Bonds1

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

N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide (PubChem CID 108913064) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylidenemethyl)piperazine-1-carboxamide
PubChem CID108913064
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(oxan-4-ylidenemethyl)piperazine-1-carboxamide
SMILESO=C(NC=C1CCOCC1)N1CCNCC1
InChIInChI=1S/C11H19N3O2/c15-11(14-5-3-12-4-6-14)13-9-10-1-7-16-8-2-10/h9,12H,1-8H2,(H,13,15)
InChIKeyOGNHBUUCNOFSAM-UHFFFAOYSA-N
XLogP0.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
The IUPAC name of N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide (CID 108913064) is N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide is O=C(NC=C1CCOCC1)N1CCNCC1.
What is the InChIKey of N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
The InChIKey is OGNHBUUCNOFSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-11(14-5-3-12-4-6-14)13-9-10-1-7-16-8-2-10/h9,12H,1-8H2,(H,13,15).
What are the key properties of N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide?
N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylidenemethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108913064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).