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

C18H29ClN2O2S — CID 119805763

IUPACN-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(CS(C)=O)c1ccccc1)C1CCCNC1.Cl
InChIInChI=1S/C18H28N2O2S.ClH/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);1H
InChIKeyXJIJCTLPRQNXKL-UHFFFAOYSA-N
MW372.96 g/mol
LogP2.67
Rot. Bonds7

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

N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119805763) has the molecular formula C18H29ClN2O2S and a molecular weight of 372.96 g/mol. Its IUPAC name is N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119805763
Molecular FormulaC18H29ClN2O2S
Molecular Weight372.96 g/mol
Exact Mass372.16
IUPAC NameN-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NC(CS(C)=O)c1ccccc1)C1CCCNC1.Cl
InChIInChI=1S/C18H28N2O2S.ClH/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);1H
InChIKeyXJIJCTLPRQNXKL-UHFFFAOYSA-N
XLogP2.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.96
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide
CID 119805764
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-thiophen-2-ylethyl)butanamide;hydrochloride
CID 119687075
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
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

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119805763) is N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)NC(CS(C)=O)c1ccccc1)C1CCCNC1.Cl.
What is the InChIKey of N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is XJIJCTLPRQNXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2S.ClH/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);1H.
What are the key properties of N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2-methylsulfinyl-1-phenylethyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 372.96 g/mol, XLogP of 2.67, 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;hydrochloride is sourced from PubChem (CID 119805763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).