N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide

C21H28N2OS — CID 23623859

IUPACN-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(C)c2cccs2)CC1C
InChIInChI=1S/C21H28N2OS/c1-4-21(24)23(18-9-6-5-7-10-18)19-12-13-22(15-16(19)2)17(3)20-11-8-14-25-20/h5-11,14,16-17,19H,4,12-13,15H2,1-3H3
InChIKeyLOEIODANWOFQJL-UHFFFAOYSA-N
MW356.53 g/mol
LogP4.96
Rot. Bonds5

About N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide

N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 23623859) has the molecular formula C21H28N2OS and a molecular weight of 356.53 g/mol. Its IUPAC name is N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID23623859
Molecular FormulaC21H28N2OS
Molecular Weight356.53 g/mol
Exact Mass356.19
IUPAC NameN-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(C)c2cccs2)CC1C
InChIInChI=1S/C21H28N2OS/c1-4-21(24)23(18-9-6-5-7-10-18)19-12-13-22(15-16(19)2)17(3)20-11-8-14-25-20/h5-11,14,16-17,19H,4,12-13,15H2,1-3H3
InChIKeyLOEIODANWOFQJL-UHFFFAOYSA-N
XLogP4.96
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide
CID 53316367
N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 86744623
3-[3-methyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 57141951
[(1R)-2-[(3S,4S)-3-methyl-4-(N-propanoylanilino)piperidin-1-yl]-1-phenylethyl] propanoate
CID 10002370
N-[1-[(1S)-1-[2-[(1R)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]ethyl]piperidin-4-yl]-N-phenylpropanamide
CID 139386864
N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide
CID 57246488
N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
N-[(3S,4R)-1-[(2S)-2-hydroxy-2-(4-isothiocyanatophenyl)ethyl]-3-methylpiperidin-4-yl]-N-phenylpropanamide
CID 101127413
N-[(3R,4S)-1-[(2S)-2-hydroxy-2-(4-isothiocyanatophenyl)ethyl]-3-methylpiperidin-4-yl]-N-phenylpropanamide
CID 100943642
N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 23339066
1-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxylic acid
CID 96927128
(3S)-1-[(1S)-1-thiophen-2-ylethyl]pyrrolidin-3-amine
CID 93316384

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide (CID 23623859) is N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(C(C)c2cccs2)CC1C.
What is the InChIKey of N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is LOEIODANWOFQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2OS/c1-4-21(24)23(18-9-6-5-7-10-18)19-12-13-22(15-16(19)2)17(3)20-11-8-14-25-20/h5-11,14,16-17,19H,4,12-13,15H2,1-3H3.
What are the key properties of N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide?
N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 356.53 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 23623859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).