ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate

C18H23NO5S — CID 55314123

IUPACethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C18H23NO5S/c1-3-23-18(22)14-8-10-19(11-9-14)17(21)13(2)24-16(20)7-6-15-5-4-12-25-15/h4-7,12-14H,3,8-11H2,1-2H3/b7-6+
InChIKeyGAOGQKVVFZUCAZ-VOTSOKGWSA-N
MW365.45 g/mol
LogP2.49
Rot. Bonds6

About ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate

ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate (PubChem CID 55314123) has the molecular formula C18H23NO5S and a molecular weight of 365.45 g/mol. Its IUPAC name is ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate
PubChem CID55314123
Molecular FormulaC18H23NO5S
Molecular Weight365.45 g/mol
Exact Mass365.13
IUPAC Nameethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)/C=C/c2cccs2)CC1
InChIInChI=1S/C18H23NO5S/c1-3-23-18(22)14-8-10-19(11-9-14)17(21)13(2)24-16(20)7-6-15-5-4-12-25-15/h4-7,12-14H,3,8-11H2,1-2H3/b7-6+
InChIKeyGAOGQKVVFZUCAZ-VOTSOKGWSA-N
XLogP2.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[2-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 42901401
ethyl 1-[2-(3-methylphenoxy)propanoyl]piperidine-4-carboxylate
CID 78784294
[1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl] 2-thiophen-2-ylquinoline-4-carboxylate
CID 55314280
ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate
CID 51162077
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956
ethyl 4-[(Z)-3-thiophen-2-ylprop-2-enoyl]piperazine-1-carboxylate
CID 92919452
ethyl 1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-4-carboxylate
CID 27555265
ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate
CID 55380370
ethyl 1-[2-(4-bromo-1H-pyrrole-2-carbonyl)oxypropanoyl]piperidine-4-carboxylate
CID 55406560
ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55504842
ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55316119

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate (CID 55314123) is ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OC(=O)/C=C/c2cccs2)CC1.
What is the InChIKey of ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate?
The InChIKey is GAOGQKVVFZUCAZ-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H23NO5S/c1-3-23-18(22)14-8-10-19(11-9-14)17(21)13(2)24-16(20)7-6-15-5-4-12-25-15/h4-7,12-14H,3,8-11H2,1-2H3/b7-6+.
What are the key properties of ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate?
ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate has a molecular weight of 365.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(E)-3-thiophen-2-ylprop-2-enoyl]oxypropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55314123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).