4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane

C12H26N4O — CID 166115656

IUPAC4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane
SMILESCC.CN(C)C(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C10H20N4O.C2H6/c1-12(2)10(15)14-5-3-13(4-6-14)9-7-11-8-9;1-2/h9,11H,3-8H2,1-2H3;1-2H3
InChIKeyMVTNRIMDPKNUEY-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.28
Rot. Bonds1

About 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane

4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane (PubChem CID 166115656) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane.

Molecular Properties

Compound Name4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane
PubChem CID166115656
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane
SMILESCC.CN(C)C(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C10H20N4O.C2H6/c1-12(2)10(15)14-5-3-13(4-6-14)9-7-11-8-9;1-2/h9,11H,3-8H2,1-2H3;1-2H3
InChIKeyMVTNRIMDPKNUEY-UHFFFAOYSA-N
XLogP0.28
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane?
The IUPAC name of 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane (CID 166115656) is 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane.
What is the SMILES notation for 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane?
The canonical SMILES for 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane is CC.CN(C)C(=O)N1CCN(C2CNC2)CC1.
What is the InChIKey of 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane?
The InChIKey is MVTNRIMDPKNUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O.C2H6/c1-12(2)10(15)14-5-3-13(4-6-14)9-7-11-8-9;1-2/h9,11H,3-8H2,1-2H3;1-2H3.
What are the key properties of 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane?
4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane has a molecular weight of 242.37 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-yl)-N,N-dimethylpiperazine-1-carboxamide;ethane is sourced from PubChem (CID 166115656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).