5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid

C24H28N4O5 — CID 46363252

IUPAC5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid
SMILESO=C(Nc1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)c(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C24H28N4O5/c29-22(28-12-14-33-15-13-28)17-26-8-10-27(11-9-26)21-7-6-19(16-20(21)24(31)32)25-23(30)18-4-2-1-3-5-18/h1-7,16H,8-15,17H2,(H,25,30)(H,31,32)
InChIKeyDDZCHQLAMWABRU-UHFFFAOYSA-N
MW452.51 g/mol
LogP1.62
Rot. Bonds6

About 5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid

5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid (PubChem CID 46363252) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid.

Molecular Properties

Compound Name5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid
PubChem CID46363252
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid
SMILESO=C(Nc1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)c(C(=O)O)c1)c1ccccc1
InChIInChI=1S/C24H28N4O5/c29-22(28-12-14-33-15-13-28)17-26-8-10-27(11-9-26)21-7-6-19(16-20(21)24(31)32)25-23(30)18-4-2-1-3-5-18/h1-7,16H,8-15,17H2,(H,25,30)(H,31,32)
InChIKeyDDZCHQLAMWABRU-UHFFFAOYSA-N
XLogP1.62
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[(2-fluorobenzoyl)amino]-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]benzoic acid
CID 46363227
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678325
5-benzamido-2-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]benzoic acid;2,2,2-trifluoroacetic acid
CID 146060849
4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42678788
2-[4-(4-acetylphenyl)piperazin-1-yl]-5-benzamidobenzoic acid
CID 46362953
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484
2-[4-[2-(3-methylanilino)-2-oxoethyl]piperazin-1-yl]-5-[(3-methylbenzoyl)amino]benzoic acid
CID 46363244
N-[4-(4-benzylpiperazin-1-yl)-3-(morpholine-4-carbonyl)phenyl]-2-chlorobenzamide
CID 42679896
5-(benzenesulfonamido)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]benzoic acid
CID 50766256
5-[(3-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid;2,2,2-trifluoroacetic acid
CID 146060806
4-chloro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678327
N-(3-benzoyl-4-morpholin-4-ylphenyl)acetamide
CID 2953550

Frequently Asked Questions

What is the IUPAC name of 5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid?
The IUPAC name of 5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid (CID 46363252) is 5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid.
What is the SMILES notation for 5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid?
The canonical SMILES for 5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid is O=C(Nc1ccc(N2CCN(CC(=O)N3CCOCC3)CC2)c(C(=O)O)c1)c1ccccc1.
What is the InChIKey of 5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid?
The InChIKey is DDZCHQLAMWABRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c29-22(28-12-14-33-15-13-28)17-26-8-10-27(11-9-26)21-7-6-19(16-20(21)24(31)32)25-23(30)18-4-2-1-3-5-18/h1-7,16H,8-15,17H2,(H,25,30)(H,31,32).
What are the key properties of 5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid?
5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid has a molecular weight of 452.51 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid is sourced from PubChem (CID 46363252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).