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

C22H30N2OS — CID 53316367

IUPACN-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2cccs2)CC1C
InChIInChI=1S/C22H30N2OS/c1-4-22(25)24(19-9-6-5-7-10-19)21-12-13-23(16-17(21)2)18(3)15-20-11-8-14-26-20/h5-11,14,17-18,21H,4,12-13,15-16H2,1-3H3
InChIKeyGKNUMETTYKTNBR-UHFFFAOYSA-N
MW370.56 g/mol
LogP4.83
Rot. Bonds6

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

N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide (PubChem CID 53316367) has the molecular formula C22H30N2OS and a molecular weight of 370.56 g/mol. Its IUPAC name is N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound NameN-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide
PubChem CID53316367
Molecular FormulaC22H30N2OS
Molecular Weight370.56 g/mol
Exact Mass370.21
IUPAC NameN-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2cccs2)CC1C
InChIInChI=1S/C22H30N2OS/c1-4-22(25)24(19-9-6-5-7-10-19)21-12-13-23(16-17(21)2)18(3)15-20-11-8-14-26-20/h5-11,14,17-18,21H,4,12-13,15-16H2,1-3H3
InChIKeyGKNUMETTYKTNBR-UHFFFAOYSA-N
XLogP4.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.56
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-1-(1-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 23623859
N-phenyl-N-[1-[(2S)-1-phenylpropan-2-yl]piperidin-4-yl]propanamide
CID 36689715
3-[3-methyl-4-(N-propanoylanilino)piperidin-1-yl]propanoic acid
CID 57141951
N,3-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-amine
CID 55171951
N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 23339066
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112
oxalic acid;N-phenyl-N-(1-propan-2-ylpiperidin-4-yl)-2-thiophen-2-ylacetamide
CID 86736486
N-[(3R,4S)-3-methoxy-1-(1-phenylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 86744623
N-[1-(1-methoxy-2-methyl-3-oxo-3-thiophen-2-ylpropyl)piperidin-4-yl]-N-phenylpropanamide
CID 57246488
N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 63292127
N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride
CID 165365092
N-[3-hydroxy-3-methyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]-N-phenylpropanamide
CID 67904685

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide?
The IUPAC name of N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide (CID 53316367) is N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide.
What is the SMILES notation for N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide?
The canonical SMILES for N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide is CCC(=O)N(c1ccccc1)C1CCN(C(C)Cc2cccs2)CC1C.
What is the InChIKey of N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide?
The InChIKey is GKNUMETTYKTNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2OS/c1-4-22(25)24(19-9-6-5-7-10-19)21-12-13-23(16-17(21)2)18(3)15-20-11-8-14-26-20/h5-11,14,17-18,21H,4,12-13,15-16H2,1-3H3.
What are the key properties of N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide?
N-[3-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide has a molecular weight of 370.56 g/mol, XLogP of 4.83, 6 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-ylpropan-2-yl)piperidin-4-yl]-N-phenylpropanamide is sourced from PubChem (CID 53316367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).