1-(2,2-diethoxyethyl)piperazine-2-carboxamide

C11H23N3O3 — CID 81093010

IUPAC1-(2,2-diethoxyethyl)piperazine-2-carboxamide
SMILESCCOC(CN1CCNCC1C(N)=O)OCC
InChIInChI=1S/C11H23N3O3/c1-3-16-10(17-4-2)8-14-6-5-13-7-9(14)11(12)15/h9-10,13H,3-8H2,1-2H3,(H2,12,15)
InChIKeyBYTVWVLRTYNRAM-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.86
Rot. Bonds7

About 1-(2,2-diethoxyethyl)piperazine-2-carboxamide

1-(2,2-diethoxyethyl)piperazine-2-carboxamide (PubChem CID 81093010) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)piperazine-2-carboxamide
PubChem CID81093010
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name1-(2,2-diethoxyethyl)piperazine-2-carboxamide
SMILESCCOC(CN1CCNCC1C(N)=O)OCC
InChIInChI=1S/C11H23N3O3/c1-3-16-10(17-4-2)8-14-6-5-13-7-9(14)11(12)15/h9-10,13H,3-8H2,1-2H3,(H2,12,15)
InChIKeyBYTVWVLRTYNRAM-UHFFFAOYSA-N
XLogP-0.86
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81093679
1-[(2S)-2-hydroxypropyl]piperazine-2-carboxamide
CID 106933554
1-methylpiperazine-2-carboxamide;dihydrochloride
CID 23145861
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperazine-2-carboxamide
CID 81133473
1-[(2R)-2-hydroxypropyl]piperazine-2-carboxylic acid
CID 106933551
1-(1-ethylpiperazin-2-yl)ethanone
CID 173048643
1-(3-amino-2-ethoxypropyl)piperidine-2-carboxamide
CID 63071979
1-[[4-(difluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 115524644
ethyl 1-(4,4-dimethylpent-2-ynyl)piperazine-2-carboxylate
CID 114190078
(2R)-1-(2-phenylethyl)piperazine-2-carboxamide
CID 95804026
1-ethylpiperazine-2-carboxylate
CID 52911180
ethyl 1-hept-6-enylpiperazine-2-carboxylate
CID 107008028

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)piperazine-2-carboxamide?
The IUPAC name of 1-(2,2-diethoxyethyl)piperazine-2-carboxamide (CID 81093010) is 1-(2,2-diethoxyethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(2,2-diethoxyethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(2,2-diethoxyethyl)piperazine-2-carboxamide is CCOC(CN1CCNCC1C(N)=O)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)piperazine-2-carboxamide?
The InChIKey is BYTVWVLRTYNRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O3/c1-3-16-10(17-4-2)8-14-6-5-13-7-9(14)11(12)15/h9-10,13H,3-8H2,1-2H3,(H2,12,15).
What are the key properties of 1-(2,2-diethoxyethyl)piperazine-2-carboxamide?
1-(2,2-diethoxyethyl)piperazine-2-carboxamide has a molecular weight of 245.32 g/mol, XLogP of -0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)piperazine-2-carboxamide is sourced from PubChem (CID 81093010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).