N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide

C13H19N3O4 — CID 108895469

IUPACN-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(O)cc(O)c1)N1CCN(CCO)CC1
InChIInChI=1S/C13H19N3O4/c17-6-5-15-1-3-16(4-2-15)13(20)14-10-7-11(18)9-12(19)8-10/h7-9,17-19H,1-6H2,(H,14,20)
InChIKeyUSBMMTRYIWFMSR-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.24
Rot. Bonds3

About N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide

N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide (PubChem CID 108895469) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
PubChem CID108895469
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC NameN-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(O)cc(O)c1)N1CCN(CCO)CC1
InChIInChI=1S/C13H19N3O4/c17-6-5-15-1-3-16(4-2-15)13(20)14-10-7-11(18)9-12(19)8-10/h7-9,17-19H,1-6H2,(H,14,20)
InChIKeyUSBMMTRYIWFMSR-UHFFFAOYSA-N
XLogP0.24
TPSA96.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108895534
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
CID 61202930
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216
N-[3-(1-aminoethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 61340159
4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide
CID 71916532
N-[3,5-bis(trifluoromethyl)phenyl]-4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
CID 122336625
4-(1,3-benzodioxol-5-ylmethyl)-N-(3,5-dihydroxyphenyl)piperazine-1-carboxamide
CID 108895611
(3,5-dihydroxyphenyl)methyl 4-[4-(2-hydroxyethyl)piperazin-1-yl]butanoate
CID 166142890
4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide (CID 108895469) is N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide is O=C(Nc1cc(O)cc(O)c1)N1CCN(CCO)CC1.
What is the InChIKey of N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
The InChIKey is USBMMTRYIWFMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-6-5-15-1-3-16(4-2-15)13(20)14-10-7-11(18)9-12(19)8-10/h7-9,17-19H,1-6H2,(H,14,20).
What are the key properties of N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide?
N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 0.24, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 108895469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).