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

C15H23N3O3 — CID 107707647

IUPAC1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(c1cc(O)cc(O)c1)N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C15H23N3O3/c1-10(11-6-12(19)8-13(20)7-11)18-5-4-16-9-14(18)15(21)17(2)3/h6-8,10,14,16,19-20H,4-5,9H2,1-3H3
InChIKeyKEWHDVYSYJVFJW-UHFFFAOYSA-N
MW293.37 g/mol
LogP0.52
Rot. Bonds3

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

1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide (PubChem CID 107707647) 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,N-dimethylpiperazine-2-carboxamide.

Molecular Properties

Compound Name1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
PubChem CID107707647
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
SMILESCC(c1cc(O)cc(O)c1)N1CCNCC1C(=O)N(C)C
InChIInChI=1S/C15H23N3O3/c1-10(11-6-12(19)8-13(20)7-11)18-5-4-16-9-14(18)15(21)17(2)3/h6-8,10,14,16,19-20H,4-5,9H2,1-3H3
InChIKeyKEWHDVYSYJVFJW-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

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Related Compounds

1-[1-(2,6-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide
CID 107711438
1-[1-(3,5-dihydroxyphenyl)ethyl]-N-ethylpiperazine-2-carboxamide
CID 107707648
1-(1-cyclopropylpropan-2-yl)-N,N-dimethylpiperazine-2-carboxamide
CID 113490132
1-[1-(3,5-dihydroxyphenyl)ethyl]piperidine-2-carboxylic acid
CID 107707800
(2S)-1-acetyl-N,N-dimethylpiperazine-2-carboxamide
CID 95804037
1-[1-(5-fluoro-2-pyridinyl)propyl]-N,N-dimethylpiperazine-2-carboxamide
CID 115940603
N,N-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperazine-2-carboxamide
CID 136978462
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperazine-2-carboxamide
CID 66318976
1-[4,4-bis(4-fluorophenyl)butyl]-N,N-dimethylpiperazine-2-carboxamide
CID 21295711
1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 107672122
1-[(4-chlorothiophen-2-yl)methyl]-N,N-dimethylpiperazine-2-carboxamide
CID 79427851
N,N-dimethyl-1-(5-methylfuran-3-carbonyl)piperazine-2-carboxamide
CID 114822004

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide?
The IUPAC name of 1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide (CID 107707647) is 1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide.
What is the SMILES notation for 1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide?
The canonical SMILES for 1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide is CC(c1cc(O)cc(O)c1)N1CCNCC1C(=O)N(C)C.
What is the InChIKey of 1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide?
The InChIKey is KEWHDVYSYJVFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10(11-6-12(19)8-13(20)7-11)18-5-4-16-9-14(18)15(21)17(2)3/h6-8,10,14,16,19-20H,4-5,9H2,1-3H3.
What are the key properties of 1-[1-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide?
1-[1-(3,5-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-(3,5-dihydroxyphenyl)ethyl]-N,N-dimethylpiperazine-2-carboxamide is sourced from PubChem (CID 107707647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).