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

C11H21N3O2 — CID 43611013

IUPACN-methyl-N-(oxan-4-yl)piperazine-1-carboxamide
SMILESCN(C(=O)N1CCNCC1)C1CCOCC1
InChIInChI=1S/C11H21N3O2/c1-13(10-2-8-16-9-3-10)11(15)14-6-4-12-5-7-14/h10,12H,2-9H2,1H3
InChIKeyZNXDPDUXPAYWAC-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.12
Rot. Bonds1

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

N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide (PubChem CID 43611013) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)piperazine-1-carboxamide
PubChem CID43611013
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-methyl-N-(oxan-4-yl)piperazine-1-carboxamide
SMILESCN(C(=O)N1CCNCC1)C1CCOCC1
InChIInChI=1S/C11H21N3O2/c1-13(10-2-8-16-9-3-10)11(15)14-6-4-12-5-7-14/h10,12H,2-9H2,1H3
InChIKeyZNXDPDUXPAYWAC-UHFFFAOYSA-N
XLogP0.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide?
The IUPAC name of N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide (CID 43611013) is N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide?
The canonical SMILES for N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide is CN(C(=O)N1CCNCC1)C1CCOCC1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide?
The InChIKey is ZNXDPDUXPAYWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13(10-2-8-16-9-3-10)11(15)14-6-4-12-5-7-14/h10,12H,2-9H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide?
N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide has a molecular weight of 227.31 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 43611013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).