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

C23H30N2O3S — CID 14494476

IUPAC[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate
SMILESCCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCc2cccs2)CC1
InChIInChI=1S/C23H30N2O3S/c1-3-22(27)25(20-8-5-4-6-9-20)23(18-28-19(2)26)12-15-24(16-13-23)14-11-21-10-7-17-29-21/h4-10,17H,3,11-16,18H2,1-2H3
InChIKeyKSONHIGERUXVAR-UHFFFAOYSA-N
MW414.57 g/mol
LogP4.13
Rot. Bonds8

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

[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate (PubChem CID 14494476) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate.

Molecular Properties

Compound Name[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate
PubChem CID14494476
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC Name[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate
SMILESCCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCc2cccs2)CC1
InChIInChI=1S/C23H30N2O3S/c1-3-22(27)25(20-8-5-4-6-9-20)23(18-28-19(2)26)12-15-24(16-13-23)14-11-21-10-7-17-29-21/h4-10,17H,3,11-16,18H2,1-2H3
InChIKeyKSONHIGERUXVAR-UHFFFAOYSA-N
XLogP4.13
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate?
The IUPAC name of [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate (CID 14494476) is [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate.
What is the SMILES notation for [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate?
The canonical SMILES for [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate is CCC(=O)N(c1ccccc1)C1(COC(C)=O)CCN(CCc2cccs2)CC1.
What is the InChIKey of [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate?
The InChIKey is KSONHIGERUXVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-3-22(27)25(20-8-5-4-6-9-20)23(18-28-19(2)26)12-15-24(16-13-23)14-11-21-10-7-17-29-21/h4-10,17H,3,11-16,18H2,1-2H3.
What are the key properties of [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate?
[4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl acetate has a molecular weight of 414.57 g/mol, XLogP of 4.13, 8 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 acetate is sourced from PubChem (CID 14494476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).