ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate

C19H27N3O7S — CID 3458759

IUPACethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C19H27N3O7S/c1-3-29-19(24)21-8-6-20(7-9-21)18(23)15-4-5-16(27-2)17(14-15)30(25,26)22-10-12-28-13-11-22/h4-5,14H,3,6-13H2,1-2H3
InChIKeyRKQIKYWQQMIHKG-UHFFFAOYSA-N
MW441.51 g/mol
LogP0.63
Rot. Bonds5

About ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate

ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate (PubChem CID 3458759) has the molecular formula C19H27N3O7S and a molecular weight of 441.51 g/mol. Its IUPAC name is ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate
PubChem CID3458759
Molecular FormulaC19H27N3O7S
Molecular Weight441.51 g/mol
Exact Mass441.16
IUPAC Nameethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1
InChIInChI=1S/C19H27N3O7S/c1-3-29-19(24)21-8-6-20(7-9-21)18(23)15-4-5-16(27-2)17(14-15)30(25,26)22-10-12-28-13-11-22/h4-5,14H,3,6-13H2,1-2H3
InChIKeyRKQIKYWQQMIHKG-UHFFFAOYSA-N
XLogP0.63
TPSA105.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate?
The IUPAC name of ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate (CID 3458759) is ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1.
What is the InChIKey of ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate?
The InChIKey is RKQIKYWQQMIHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O7S/c1-3-29-19(24)21-8-6-20(7-9-21)18(23)15-4-5-16(27-2)17(14-15)30(25,26)22-10-12-28-13-11-22/h4-5,14H,3,6-13H2,1-2H3.
What are the key properties of ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate?
ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate has a molecular weight of 441.51 g/mol, XLogP of 0.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)piperazine-1-carboxylate is sourced from PubChem (CID 3458759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).