methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate

C19H23N3O4S — CID 17087369

IUPACmethyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)N1CCN(Cc2cccc(OC)c2)CC1
InChIInChI=1S/C19H23N3O4S/c1-25-15-5-3-4-14(12-15)13-21-7-9-22(10-8-21)19(24)20-16-6-11-27-17(16)18(23)26-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,24)
InChIKeyXXXXFNZMCOMWPP-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.89
Rot. Bonds5

About methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate

methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate (PubChem CID 17087369) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate
PubChem CID17087369
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC Namemethyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)N1CCN(Cc2cccc(OC)c2)CC1
InChIInChI=1S/C19H23N3O4S/c1-25-15-5-3-4-14(12-15)13-21-7-9-22(10-8-21)19(24)20-16-6-11-27-17(16)18(23)26-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,24)
InChIKeyXXXXFNZMCOMWPP-UHFFFAOYSA-N
XLogP2.89
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[4-[(3,4-dichlorophenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate
CID 17349243
methyl 3-[[2-(3-methoxyphenyl)acetyl]amino]thiophene-2-carboxylate
CID 27805316
N-(1-adamantyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17374929
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
methyl 3-[[3-[(dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)piperidine-1-carbonyl]amino]thiophene-2-carboxylate
CID 167321837
4-benzyl-N-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 108900940
methyl 2-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 59740832
methyl 3-[[3-(4-benzylpiperazin-1-yl)sulfonylbenzoyl]amino]thiophene-2-carboxylate
CID 55413124
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
N-(2,3-dichlorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184568
N-(5-chloro-2-methylphenyl)-4-[2-(3-methoxyphenyl)ethyl]piperazine-1-carboxamide
CID 113109387
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23906308

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate (CID 17087369) is methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)N1CCN(Cc2cccc(OC)c2)CC1.
What is the InChIKey of methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate?
The InChIKey is XXXXFNZMCOMWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-25-15-5-3-4-14(12-15)13-21-7-9-22(10-8-21)19(24)20-16-6-11-27-17(16)18(23)26-2/h3-6,11-12H,7-10,13H2,1-2H3,(H,20,24).
What are the key properties of methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate?
methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate has a molecular weight of 389.48 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 17087369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).