5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid

C12H15N3O4 — CID 4740886

IUPAC5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid
SMILESNC(=O)N1CCN(c2ccc(O)c(C(=O)O)c2)CC1
InChIInChI=1S/C12H15N3O4/c13-12(19)15-5-3-14(4-6-15)8-1-2-10(16)9(7-8)11(17)18/h1-2,7,16H,3-6H2,(H2,13,19)(H,17,18)
InChIKeyXSIQBBWQRRMEDN-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.29
Rot. Bonds2

About 5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid

5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid (PubChem CID 4740886) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid
PubChem CID4740886
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid
SMILESNC(=O)N1CCN(c2ccc(O)c(C(=O)O)c2)CC1
InChIInChI=1S/C12H15N3O4/c13-12(19)15-5-3-14(4-6-15)8-1-2-10(16)9(7-8)11(17)18/h1-2,7,16H,3-6H2,(H2,13,19)(H,17,18)
InChIKeyXSIQBBWQRRMEDN-UHFFFAOYSA-N
XLogP0.29
TPSA107.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid?
The IUPAC name of 5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid (CID 4740886) is 5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid.
What is the SMILES notation for 5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid?
The canonical SMILES for 5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid is NC(=O)N1CCN(c2ccc(O)c(C(=O)O)c2)CC1.
What is the InChIKey of 5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid?
The InChIKey is XSIQBBWQRRMEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-12(19)15-5-3-14(4-6-15)8-1-2-10(16)9(7-8)11(17)18/h1-2,7,16H,3-6H2,(H2,13,19)(H,17,18).
What are the key properties of 5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid?
5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid has a molecular weight of 265.27 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoylpiperazin-1-yl)-2-hydroxybenzoic acid is sourced from PubChem (CID 4740886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).