methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate

C15H19N3O6S — CID 75400277

IUPACmethyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(=O)NC1CCN(C(=O)OC)CC1
InChIInChI=1S/C15H19N3O6S/c1-23-14(21)11-10(5-8-25-11)17-13(20)12(19)16-9-3-6-18(7-4-9)15(22)24-2/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZBBBKBMIPQANIH-UHFFFAOYSA-N
MW369.40 g/mol
LogP0.82
Rot. Bonds3

About methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate

methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate (PubChem CID 75400277) has the molecular formula C15H19N3O6S and a molecular weight of 369.40 g/mol. Its IUPAC name is methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate
PubChem CID75400277
Molecular FormulaC15H19N3O6S
Molecular Weight369.40 g/mol
Exact Mass369.10
IUPAC Namemethyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(=O)NC1CCN(C(=O)OC)CC1
InChIInChI=1S/C15H19N3O6S/c1-23-14(21)11-10(5-8-25-11)17-13(20)12(19)16-9-3-6-18(7-4-9)15(22)24-2/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyZBBBKBMIPQANIH-UHFFFAOYSA-N
XLogP0.82
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[2-[3-(methylamino)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 115300730
methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703682
methyl 3-[(4-carbamoylpiperidine-1-carbothioyl)amino]thiophene-2-carboxylate
CID 4610946
methyl 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 43556558
methyl 3-[[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 55849627
methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate
CID 79506555
methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 55173040
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]thiophene-2-carboxylate
CID 93038584
tert-butyl 3-[(2-methoxycarbonylthiophen-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554291
methyl 3-[(1-methylsulfonylpyrrolidine-2-carbonyl)amino]thiophene-2-carboxylate
CID 43408259
methyl 4-(3-thiophen-2-ylpropanoylamino)piperidine-1-carboxylate
CID 110821759

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate (CID 75400277) is methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate is COC(=O)c1sccc1NC(=O)C(=O)NC1CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate?
The InChIKey is ZBBBKBMIPQANIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O6S/c1-23-14(21)11-10(5-8-25-11)17-13(20)12(19)16-9-3-6-18(7-4-9)15(22)24-2/h5,8-9H,3-4,6-7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate?
methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate has a molecular weight of 369.40 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 75400277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).