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

C24H32N2O3S — CID 14494472

IUPAC[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate
SMILESCCC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H32N2O3S/c1-3-22(27)26(20-9-6-5-7-10-20)24(19-29-23(28)4-2)13-16-25(17-14-24)15-12-21-11-8-18-30-21/h5-11,18H,3-4,12-17,19H2,1-2H3
InChIKeyKHFYORAPFSIOIB-UHFFFAOYSA-N
MW428.60 g/mol
LogP4.52
Rot. Bonds9

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

[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate (PubChem CID 14494472) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate.

Molecular Properties

Compound Name[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate
PubChem CID14494472
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate
SMILESCCC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCc2cccs2)CC1
InChIInChI=1S/C24H32N2O3S/c1-3-22(27)26(20-9-6-5-7-10-20)24(19-29-23(28)4-2)13-16-25(17-14-24)15-12-21-11-8-18-30-21/h5-11,18H,3-4,12-17,19H2,1-2H3
InChIKeyKHFYORAPFSIOIB-UHFFFAOYSA-N
XLogP4.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate?
The IUPAC name of [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate (CID 14494472) is [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate.
What is the SMILES notation for [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate?
The canonical SMILES for [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate is CCC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCc2cccs2)CC1.
What is the InChIKey of [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate?
The InChIKey is KHFYORAPFSIOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-3-22(27)26(20-9-6-5-7-10-20)24(19-29-23(28)4-2)13-16-25(17-14-24)15-12-21-11-8-18-30-21/h5-11,18H,3-4,12-17,19H2,1-2H3.
What are the key properties of [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate?
[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate has a molecular weight of 428.60 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl propanoate is sourced from PubChem (CID 14494472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).