1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide

C15H23N3O3 — CID 107707648

IUPAC1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H23N3O3/c1-3-17-15(21)14-9-16-4-5-18(14)10(2)11-6-12(19)8-13(20)7-11/h6-8,10,14,16,19-20H,3-5,9H2,1-2H3,(H,17,21)
InChIKeyHMHIYKDNOFSMMB-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.57
Rot. Bonds4

About 1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide

1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide (PubChem CID 107707648) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide
PubChem CID107707648
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide
SMILESCCNC(=O)C1CNCCN1C(C)c1cc(O)cc(O)c1
InChIInChI=1S/C15H23N3O3/c1-3-17-15(21)14-9-16-4-5-18(14)10(2)11-6-12(19)8-13(20)7-11/h6-8,10,14,16,19-20H,3-5,9H2,1-2H3,(H,17,21)
InChIKeyHMHIYKDNOFSMMB-UHFFFAOYSA-N
XLogP0.57
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
CID 107707647
1-N,2-N-diethyl-1-N-methylpiperazine-1,2-dicarboxamide
CID 79163472
N-ethyl-1-(2-propan-2-yloxyacetyl)piperazine-2-carboxamide
CID 112603458
1-(4,6-dimethoxypyrimidin-2-yl)-N-ethylpiperazine-2-carboxamide
CID 115355359
N-ethyl-1-(5-iodothiophene-3-carbonyl)piperazine-2-carboxamide
CID 79694089
N-ethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136978464
1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 107707800
N-ethyl-1-(6-methoxy-2-methylpyrimidin-4-yl)piperazine-2-carboxamide
CID 66333888
N-ethyl-1-(5-methoxypyrimidin-2-yl)piperazine-2-carboxamide
CID 114600957
5-[(1R)-4-methyl-1-piperazin-1-ylpentyl]benzene-1,3-diol
CID 171310689
N-ethyl-1-(piperidine-1-carbonyl)piperazine-2-carboxamide
CID 79155644
N-ethyl-1-(2-ethyl-2-hydroxybutyl)piperazine-2-carboxamide
CID 114496531

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide?
The IUPAC name of 1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide (CID 107707648) is 1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide?
The canonical SMILES for 1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide is CCNC(=O)C1CNCCN1C(C)c1cc(O)cc(O)c1.
What is the InChIKey of 1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide?
The InChIKey is HMHIYKDNOFSMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-17-15(21)14-9-16-4-5-18(14)10(2)11-6-12(19)8-13(20)7-11/h6-8,10,14,16,19-20H,3-5,9H2,1-2H3,(H,17,21).
What are the key properties of 1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide?
1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.57, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide is sourced from PubChem (CID 107707648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).