4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid

C14H19N3O4 — CID 61202930

IUPAC4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H19N3O4/c18-10-9-16-5-7-17(8-6-16)14(21)15-12-3-1-11(2-4-12)13(19)20/h1-4,18H,5-10H2,(H,15,21)(H,19,20)
InChIKeyMSDHBCNRKCUWHO-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.53
Rot. Bonds4

About 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid

4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid (PubChem CID 61202930) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
PubChem CID61202930
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C14H19N3O4/c18-10-9-16-5-7-17(8-6-16)14(21)15-12-3-1-11(2-4-12)13(19)20/h1-4,18H,5-10H2,(H,15,21)(H,19,20)
InChIKeyMSDHBCNRKCUWHO-UHFFFAOYSA-N
XLogP0.53
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
N-[4-(aminomethyl)phenyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 43592283
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
N-(3,5-dihydroxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108895469
4-[6-[4-(2-hydroxyethyl)piperazin-1-yl]pyridazin-3-yl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 122336600
N-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-1,4-diazepane-1-carboxamide
CID 63310216
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
N-[4-(methylamino)phenyl]-4-propylpiperazine-1-carboxamide
CID 59608963
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
4-(2-hydroxyethyl)-N-[3-(2,2,2-trifluoroethyl)phenyl]piperazine-1-carboxamide
CID 71916532
4-(2-aminoethyl)-N-(4-bromophenyl)piperazine-1-carboxamide
CID 108869241
4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64695553

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid?
The IUPAC name of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid (CID 61202930) is 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid.
What is the SMILES notation for 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid?
The canonical SMILES for 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid is O=C(O)c1ccc(NC(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid?
The InChIKey is MSDHBCNRKCUWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-10-9-16-5-7-17(8-6-16)14(21)15-12-3-1-11(2-4-12)13(19)20/h1-4,18H,5-10H2,(H,15,21)(H,19,20).
What are the key properties of 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid?
4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]amino]benzoic acid is sourced from PubChem (CID 61202930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).