ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate

C24H32N2O4S — CID 14494482

IUPACethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate
SMILESCCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H32N2O4S/c1-3-22(27)26(20-9-6-5-7-10-20)24(19-30-23(28)29-4-2)13-16-25(17-14-24)15-12-21-11-8-18-31-21/h5-11,18H,3-4,12-17,19H2,1-2H3
InChIKeyUWLSIZAQMSIHAY-UHFFFAOYSA-N
MW444.60 g/mol
LogP4.74
Rot. Bonds9

About ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate

ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate (PubChem CID 14494482) has the molecular formula C24H32N2O4S and a molecular weight of 444.60 g/mol. Its IUPAC name is ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate.

Molecular Properties

Compound Nameethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate
PubChem CID14494482
Molecular FormulaC24H32N2O4S
Molecular Weight444.60 g/mol
Exact Mass444.21
IUPAC Nameethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate
SMILESCCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H32N2O4S/c1-3-22(27)26(20-9-6-5-7-10-20)24(19-30-23(28)29-4-2)13-16-25(17-14-24)15-12-21-11-8-18-31-21/h5-11,18H,3-4,12-17,19H2,1-2H3
InChIKeyUWLSIZAQMSIHAY-UHFFFAOYSA-N
XLogP4.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate with MolForge

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Related Compounds

Sufentanil
CID 41693
Methyl 4-((2-methoxyacetyl)phenylamino)-1-(2-(2-thienyl)ethyl)-4-piperidinecarboxylate
CID 13653617
2-(18F)fluoro-N-[4-(methoxymethyl)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 11495094
Aes5epg2RX
CID 14494472
[4-(N-acetylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate
CID 14494470
[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate
CID 14494476
[4-(N-butanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl butanoate
CID 14494478
[4-[N-(2-methylpropanoyl)anilino]-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl 2-methylpropanoate
CID 14494480
methyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate
CID 14494484
[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl 2,2-dimethylpropanoate
CID 14494486
Thiofentanil
CID 173761
Thiofentanil oxalate
CID 175383

Frequently Asked Questions

What is the IUPAC name of ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate?
The IUPAC name of ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate (CID 14494482) is ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate.
What is the SMILES notation for ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate?
The canonical SMILES for ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate is CCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCc2cccs2)CC1.
What is the InChIKey of ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate?
The InChIKey is UWLSIZAQMSIHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4S/c1-3-22(27)26(20-9-6-5-7-10-20)24(19-30-23(28)29-4-2)13-16-25(17-14-24)15-12-21-11-8-18-31-21/h5-11,18H,3-4,12-17,19H2,1-2H3.
What are the key properties of ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate?
ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate has a molecular weight of 444.60 g/mol, XLogP of 4.74, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate is sourced from PubChem (CID 14494482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).