ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate

C21H32N4O5S — CID 23933867

IUPACethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2(NC(=O)c3sccc3OCC)CCNCC2)CC1
InChIInChI=1S/C21H32N4O5S/c1-3-29-16-7-14-31-17(16)18(26)24-21(8-10-22-11-9-21)19(27)23-15-5-12-25(13-6-15)20(28)30-4-2/h7,14-15,22H,3-6,8-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyUTUHHFXLRLCIAG-UHFFFAOYSA-N
MW452.58 g/mol
LogP1.74
Rot. Bonds7

About ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 23933867) has the molecular formula C21H32N4O5S and a molecular weight of 452.58 g/mol. Its IUPAC name is ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID23933867
Molecular FormulaC21H32N4O5S
Molecular Weight452.58 g/mol
Exact Mass452.21
IUPAC Nameethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2(NC(=O)c3sccc3OCC)CCNCC2)CC1
InChIInChI=1S/C21H32N4O5S/c1-3-29-16-7-14-31-17(16)18(26)24-21(8-10-22-11-9-21)19(27)23-15-5-12-25(13-6-15)20(28)30-4-2/h7,14-15,22H,3-6,8-13H2,1-2H3,(H,23,27)(H,24,26)
InChIKeyUTUHHFXLRLCIAG-UHFFFAOYSA-N
XLogP1.74
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[[4-[(2-pyrrol-1-ylbenzoyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 23995542
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CID 3734245
ethyl 4-[[4-[[2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 74228365
ethyl 4-[[4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 74224361
ethyl 4-[[4-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 23938498
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
ethyl 4-[[4-[(2-nitrophenyl)methylsulfonylamino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 25038778
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 5091991
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-(piperidine-4-carbonylamino)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate (CID 23933867) is ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2(NC(=O)c3sccc3OCC)CCNCC2)CC1.
What is the InChIKey of ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is UTUHHFXLRLCIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5S/c1-3-29-16-7-14-31-17(16)18(26)24-21(8-10-22-11-9-21)19(27)23-15-5-12-25(13-6-15)20(28)30-4-2/h7,14-15,22H,3-6,8-13H2,1-2H3,(H,23,27)(H,24,26).
What are the key properties of ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 452.58 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-[(3-ethoxythiophene-2-carbonyl)amino]piperidine-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 23933867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).