methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate

C19H26N4O5 — CID 55536184

IUPACmethyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C19H26N4O5/c1-27-18(25)15-4-2-3-5-16(15)20-19(26)23-8-6-22(7-9-23)17(24)14-21-10-12-28-13-11-21/h2-5H,6-14H2,1H3,(H,20,26)
InChIKeyBUXDEJOALXKDMC-UHFFFAOYSA-N
MW390.44 g/mol
LogP0.48
Rot. Bonds4

About methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate

methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate (PubChem CID 55536184) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
PubChem CID55536184
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Namemethyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C19H26N4O5/c1-27-18(25)15-4-2-3-5-16(15)20-19(26)23-8-6-22(7-9-23)17(24)14-21-10-12-28-13-11-21/h2-5H,6-14H2,1H3,(H,20,26)
InChIKeyBUXDEJOALXKDMC-UHFFFAOYSA-N
XLogP0.48
TPSA91.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(2-chlorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 78802177
2-[[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]amino]benzamide
CID 55493980
methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 59740832
methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 37471919
methyl 2-[[(3S)-3-morpholin-4-ylpiperidine-1-carbonyl]amino]benzoate
CID 31015711
methyl 2-[[4-(4-ethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113112107
methyl 2-[[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107902
1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52612933
methyl 2-[[4-[(2-chlorophenyl)methyl]piperazine-1-carbonyl]amino]benzoate
CID 113107758
methyl 2-[(2,2-dimethyl-3-morpholin-4-yl-3-oxopropanoyl)amino]benzoate
CID 108959939
methyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108944622
methyl 5-methyl-2-(morpholine-4-carbonylamino)benzoate
CID 79151802

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate (CID 55536184) is methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate?
The InChIKey is BUXDEJOALXKDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-27-18(25)15-4-2-3-5-16(15)20-19(26)23-8-6-22(7-9-23)17(24)14-21-10-12-28-13-11-21/h2-5H,6-14H2,1H3,(H,20,26).
What are the key properties of methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate?
methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate has a molecular weight of 390.44 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-morpholin-4-ylacetyl)piperazine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 55536184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).