N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride

C17H27ClN2OS — CID 119691430

IUPACN-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCSc1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-14(15-7-9-18-10-8-15)13-17(20)19-11-12-21-16-5-3-2-4-6-16;/h2-6,14-15,18H,7-13H2,1H3,(H,19,20);1H
InChIKeyJFWLOVDARUDJMU-UHFFFAOYSA-N
MW342.94 g/mol
LogP3.34
Rot. Bonds7

About N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride

N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119691430) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119691430
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC NameN-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(CC(=O)NCCSc1ccccc1)C1CCNCC1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-14(15-7-9-18-10-8-15)13-17(20)19-11-12-21-16-5-3-2-4-6-16;/h2-6,14-15,18H,7-13H2,1H3,(H,19,20);1H
InChIKeyJFWLOVDARUDJMU-UHFFFAOYSA-N
XLogP3.34
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691370
N-[2-(4-chlorophenyl)sulfanylethyl]-3-piperidin-4-ylbutanamide
CID 119691371
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-(2-naphthalen-2-ylethyl)-3-piperidin-4-ylbutanamide
CID 119732891
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-(2-naphthalen-1-ylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119722521
N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119738762

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride (CID 119691430) is N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride is CC(CC(=O)NCCSc1ccccc1)C1CCNCC1.Cl.
What is the InChIKey of N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is JFWLOVDARUDJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS.ClH/c1-14(15-7-9-18-10-8-15)13-17(20)19-11-12-21-16-5-3-2-4-6-16;/h2-6,14-15,18H,7-13H2,1H3,(H,19,20);1H.
What are the key properties of N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride?
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 342.94 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119691430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).