N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

C22H30N2O3S — CID 19772622

IUPACN-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C22H30N2O3S/c1-3-21(26)24(18-8-5-4-6-9-18)22(17-27-2)11-13-23(14-12-22)16-19(25)20-10-7-15-28-20/h4-10,15,19,25H,3,11-14,16-17H2,1-2H3
InChIKeyLAAQBWCPQOZHMW-UHFFFAOYSA-N
MW402.56 g/mol
LogP3.71
Rot. Bonds8

About N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide

N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 19772622) has the molecular formula C22H30N2O3S and a molecular weight of 402.56 g/mol. Its IUPAC name is N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID19772622
Molecular FormulaC22H30N2O3S
Molecular Weight402.56 g/mol
Exact Mass402.20
IUPAC NameN-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1(COC)CCN(CC(O)c2cccs2)CC1
InChIInChI=1S/C22H30N2O3S/c1-3-21(26)24(18-8-5-4-6-9-18)22(17-27-2)11-13-23(14-12-22)16-19(25)20-10-7-15-28-20/h4-10,15,19,25H,3,11-14,16-17H2,1-2H3
InChIKeyLAAQBWCPQOZHMW-UHFFFAOYSA-N
XLogP3.71
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.56
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

Sufentanil
CID 41693
beta-Hydroxythiofentanyl
CID 117072582
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
ethyl [4-(N-propanoylanilino)-1-(2-thiophen-2-ylethyl)piperidin-4-yl]methyl carbonate
CID 14494482
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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide (CID 19772622) is N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1(COC)CCN(CC(O)c2cccs2)CC1.
What is the InChIKey of N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is LAAQBWCPQOZHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3S/c1-3-21(26)24(18-8-5-4-6-9-18)22(17-27-2)11-13-23(14-12-22)16-19(25)20-10-7-15-28-20/h4-10,15,19,25H,3,11-14,16-17H2,1-2H3.
What are the key properties of N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 402.56 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxy-2-thiophen-2-ylethyl)-4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 19772622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).