1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide

C13H27N3O3 — CID 81093679

IUPAC1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCCOC(CN1CCNCC1C(=O)N(C)C)OCC
InChIInChI=1S/C13H27N3O3/c1-5-18-12(19-6-2)10-16-8-7-14-9-11(16)13(17)15(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyASAHWSCOFXPDPF-UHFFFAOYSA-N
MW273.38 g/mol
LogP-0.25
Rot. Bonds7

About 1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide

1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 81093679) has the molecular formula C13H27N3O3 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide
PubChem CID81093679
Molecular FormulaC13H27N3O3
Molecular Weight273.38 g/mol
Exact Mass273.21
IUPAC Name1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide
SMILESCCOC(CN1CCNCC1C(=O)N(C)C)OCC
InChIInChI=1S/C13H27N3O3/c1-5-18-12(19-6-2)10-16-8-7-14-9-11(16)13(17)15(3)4/h11-12,14H,5-10H2,1-4H3
InChIKeyASAHWSCOFXPDPF-UHFFFAOYSA-N
XLogP-0.25
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide (CID 81093679) is 1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide is CCOC(CN1CCNCC1C(=O)N(C)C)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is ASAHWSCOFXPDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O3/c1-5-18-12(19-6-2)10-16-8-7-14-9-11(16)13(17)15(3)4/h11-12,14H,5-10H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide?
1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 273.38 g/mol, XLogP of -0.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 81093679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).