N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide

C18H28N2O2S — CID 119805764

IUPACN-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC(CS(C)=O)c1ccccc1)C1CCCNC1
InChIInChI=1S/C18H28N2O2S/c1-14(16-9-6-10-19-12-16)11-18(21)20-17(13-23(2)22)15-7-4-3-5-8-15/h3-5,7-8,14,16-17,19H,6,9-13H2,1-2H3,(H,20,21)
InChIKeyGMDXWERGSMLLHK-UHFFFAOYSA-N
MW336.50 g/mol
LogP2.25
Rot. Bonds7

About N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide

N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide (PubChem CID 119805764) has the molecular formula C18H28N2O2S and a molecular weight of 336.50 g/mol. Its IUPAC name is N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
PubChem CID119805764
Molecular FormulaC18H28N2O2S
Molecular Weight336.50 g/mol
Exact Mass336.19
IUPAC NameN-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)NC(CS(C)=O)c1ccccc1)C1CCCNC1
InChIInChI=1S/C18H28N2O2S/c1-14(16-9-6-10-19-12-16)11-18(21)20-17(13-23(2)22)15-7-4-3-5-8-15/h3-5,7-8,14,16-17,19H,6,9-13H2,1-2H3,(H,20,21)
InChIKeyGMDXWERGSMLLHK-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.50
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119805763
N-(1-phenylpropyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705827
N-(2-hydroxy-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 81047426
N-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-piperidin-3-ylbutanamide
CID 119851531
methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
CID 119818551
N-(3,3-diphenylpropyl)-3-piperidin-3-ylbutanamide
CID 119675917
N-[(3-fluorophenyl)-phenylmethyl]-3-piperidin-3-ylbutanamide
CID 119815265
3-piperidin-3-yl-N-(1-pyridin-3-ylethyl)butanamide
CID 81043571
3-piperidin-3-yl-N-[(1S)-1-pyridin-3-ylethyl]butanamide
CID 81404285
N-[1-(2-methoxyphenyl)-3-methylbutyl]-3-piperidin-3-ylbutanamide
CID 119816785
3-piperidin-3-yl-N-(1-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide?
The IUPAC name of N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide (CID 119805764) is N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide is CC(CC(=O)NC(CS(C)=O)c1ccccc1)C1CCCNC1.
What is the InChIKey of N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide?
The InChIKey is GMDXWERGSMLLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S/c1-14(16-9-6-10-19-12-16)11-18(21)20-17(13-23(2)22)15-7-4-3-5-8-15/h3-5,7-8,14,16-17,19H,6,9-13H2,1-2H3,(H,20,21).
What are the key properties of N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide?
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide has a molecular weight of 336.50 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119805764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).