ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate

C19H26N2O6S — CID 55375253

IUPACethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)CCNC(=O)c2ccsc2)CC1
InChIInChI=1S/C19H26N2O6S/c1-3-26-19(25)14-5-9-21(10-6-14)18(24)13(2)27-16(22)4-8-20-17(23)15-7-11-28-12-15/h7,11-14H,3-6,8-10H2,1-2H3,(H,20,23)
InChIKeyKHZXYOULVMXEGQ-UHFFFAOYSA-N
MW410.49 g/mol
LogP1.60
Rot. Bonds8

About ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate

ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate (PubChem CID 55375253) has the molecular formula C19H26N2O6S and a molecular weight of 410.49 g/mol. Its IUPAC name is ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate
PubChem CID55375253
Molecular FormulaC19H26N2O6S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC Nameethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)CCNC(=O)c2ccsc2)CC1
InChIInChI=1S/C19H26N2O6S/c1-3-26-19(25)14-5-9-21(10-6-14)18(24)13(2)27-16(22)4-8-20-17(23)15-7-11-28-12-15/h7,11-14H,3-6,8-10H2,1-2H3,(H,20,23)
InChIKeyKHZXYOULVMXEGQ-UHFFFAOYSA-N
XLogP1.60
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55316119
ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate
CID 55380370
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899
[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl] 4-(thiophene-3-carbonylamino)butanoate
CID 46518997
ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate
CID 55314123
ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55504842
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
N-[3-[2-(aminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119468600
ethyl 1-[2-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 42901401
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-[2-(furan-3-carbonylamino)acetyl]piperidine-4-carboxylate
CID 46430018
ethyl 1-[N-(3-methoxy-3-oxopropyl)-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156977

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate (CID 55375253) is ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OC(=O)CCNC(=O)c2ccsc2)CC1.
What is the InChIKey of ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate?
The InChIKey is KHZXYOULVMXEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6S/c1-3-26-19(25)14-5-9-21(10-6-14)18(24)13(2)27-16(22)4-8-20-17(23)15-7-11-28-12-15/h7,11-14H,3-6,8-10H2,1-2H3,(H,20,23).
What are the key properties of ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate?
ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate has a molecular weight of 410.49 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55375253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).