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

C22H30N4O5 — CID 50782508

IUPAC2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid
SMILESO=C(O)c1cc(N2CCN(CC(=O)N3CCOCC3)CC2)ccc1NC(=O)C1CCC1
InChIInChI=1S/C22H30N4O5/c27-20(26-10-12-31-13-11-26)15-24-6-8-25(9-7-24)17-4-5-19(18(14-17)22(29)30)23-21(28)16-2-1-3-16/h4-5,14,16H,1-3,6-13,15H2,(H,23,28)(H,29,30)
InChIKeyHXPYFEOJCRESQH-UHFFFAOYSA-N
MW430.51 g/mol
LogP1.10
Rot. Bonds6

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

2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid (PubChem CID 50782508) has the molecular formula C22H30N4O5 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid.

Molecular Properties

Compound Name2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid
PubChem CID50782508
Molecular FormulaC22H30N4O5
Molecular Weight430.51 g/mol
Exact Mass430.22
IUPAC Name2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid
SMILESO=C(O)c1cc(N2CCN(CC(=O)N3CCOCC3)CC2)ccc1NC(=O)C1CCC1
InChIInChI=1S/C22H30N4O5/c27-20(26-10-12-31-13-11-26)15-24-6-8-25(9-7-24)17-4-5-19(18(14-17)22(29)30)23-21(28)16-2-1-3-16/h4-5,14,16H,1-3,6-13,15H2,(H,23,28)(H,29,30)
InChIKeyHXPYFEOJCRESQH-UHFFFAOYSA-N
XLogP1.10
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclopropanecarbonylamino)-5-(4-ethylpiperazin-1-yl)benzoic acid
CID 50782275
2-(cyclobutanecarbonylamino)-5-(4-ethoxycarbonylpiperazin-1-yl)benzoic acid
CID 50782127
5-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-[(4-methylbenzoyl)amino]benzoic acid
CID 50781901
5-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-2-[(2-phenoxyacetyl)amino]benzoic acid
CID 50782411
2-(cyclopropanecarbonylamino)-5-[(3R)-3-methylpiperidin-1-yl]benzoic acid
CID 93065765
5-(4-benzhydrylpiperazin-1-yl)-2-(cyclopropanecarbonylamino)benzoic acid
CID 50782148
5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid
CID 46363252
1-morpholin-4-yl-2-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 2867505
2-(6,7-dihydro-5H-cyclopenta[b]pyridine-6-carbonylamino)-5-morpholin-4-ylbenzoic acid
CID 167806851
1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24568541
5-chloro-2-(cyclobutanecarbonylamino)benzoic acid
CID 16775751
2-(2,2-dimethylpropanoylamino)-5-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]benzoic acid
CID 50782266

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid?
The IUPAC name of 2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid (CID 50782508) is 2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid.
What is the SMILES notation for 2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid?
The canonical SMILES for 2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid is O=C(O)c1cc(N2CCN(CC(=O)N3CCOCC3)CC2)ccc1NC(=O)C1CCC1.
What is the InChIKey of 2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid?
The InChIKey is HXPYFEOJCRESQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O5/c27-20(26-10-12-31-13-11-26)15-24-6-8-25(9-7-24)17-4-5-19(18(14-17)22(29)30)23-21(28)16-2-1-3-16/h4-5,14,16H,1-3,6-13,15H2,(H,23,28)(H,29,30).
What are the key properties of 2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid?
2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid has a molecular weight of 430.51 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutanecarbonylamino)-5-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid is sourced from PubChem (CID 50782508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).