1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide

C15H23N3O3 — CID 107711438

IUPAC1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(c1c(O)cccc1O)N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C15H23N3O3/c1-10(14-12(19)5-4-6-13(14)20)18-8-7-16-9-11(18)15(21)17(2)3/h4-6,10-11,16,19-20H,7-9H2,1-3H3
InChIKeyQHIIZAOHNPECNP-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.52
Rot. Bonds3

About 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide

1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 107711438) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
PubChem CID107711438
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(c1c(O)cccc1O)N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C15H23N3O3/c1-10(14-12(19)5-4-6-13(14)20)18-8-7-16-9-11(18)15(21)17(2)3/h4-6,10-11,16,19-20H,7-9H2,1-3H3
InChIKeyQHIIZAOHNPECNP-UHFFFAOYSA-N
XLogP0.52
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
CID 107707647
1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide
CID 113490132
1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide
CID 115940603
N,N-dimethyl-1-(2-methyl-6-nitrophenyl)piperazine-2-carboxamide
CID 115553899
1-imidazo[1,2-a]pyridin-5-yl-N,N-dimethylpiperazine-2-carboxamide
CID 102626125
1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 107672122
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
N,N-dimethyl-1-sulfamoylpiperazine-2-carboxamide
CID 114959382
1-(2,2-diethoxyethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 81093679
1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide
CID 21295711
N,N-dimethyl-1-pyrazolo[1,5-a]pyrazin-4-ylpiperazine-2-carboxamide
CID 104732650
1-(1-benzofuran-3-ylmethyl)-N,N-dimethylpiperazine-2-carboxamide
CID 80702285

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide (CID 107711438) is 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide is CC(c1c(O)cccc1O)N1CCNCC1C(=O)N(C)C.
What is the InChIKey of 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is QHIIZAOHNPECNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(14-12(19)5-4-6-13(14)20)18-8-7-16-9-11(18)15(21)17(2)3/h4-6,10-11,16,19-20H,7-9H2,1-3H3.
What are the key properties of 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide?
1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 107711438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).