N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride

C17H27ClN2OS — CID 119309248

IUPACN-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)Sc1ccc(NC(=O)C2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-4-13(3)21-15-7-8-16(12(2)10-15)19-17(20)14-6-5-9-18-11-14;/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3,(H,19,20);1H
InChIKeyFFTORIIGLOWOEN-UHFFFAOYSA-N
MW342.94 g/mol
LogP4.25
Rot. Bonds5

About N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride

N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119309248) has the molecular formula C17H27ClN2OS and a molecular weight of 342.94 g/mol. Its IUPAC name is N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119309248
Molecular FormulaC17H27ClN2OS
Molecular Weight342.94 g/mol
Exact Mass342.15
IUPAC NameN-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride
SMILESCCC(C)Sc1ccc(NC(=O)C2CCCNC2)c(C)c1.Cl
InChIInChI=1S/C17H26N2OS.ClH/c1-4-13(3)21-15-7-8-16(12(2)10-15)19-17(20)14-6-5-9-18-11-14;/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3,(H,19,20);1H
InChIKeyFFTORIIGLOWOEN-UHFFFAOYSA-N
XLogP4.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.94
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-4-carboxamide
CID 119309241
N-(4-butan-2-ylsulfanyl-2-methylphenyl)morpholine-2-carboxamide
CID 119758954
2-[(4-butan-2-ylsulfanyl-2-methylphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975677
N-(4-tert-butylsulfanyl-2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119765619
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
N-(2-methyl-4-pyrimidin-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119766390
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
3-amino-N-(4-butan-2-ylsulfanyl-2-methylphenyl)butanamide;hydrochloride
CID 119758951
N-[2-[(dimethylamino)methyl]-4-methylphenyl]piperidine-3-carboxamide;dihydrochloride
CID 119887720
(3S)-N-(3-hydroxy-2,4-dimethylphenyl)piperidine-3-carboxamide
CID 81124714
N-(2-ethylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265832

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride (CID 119309248) is N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride is CCC(C)Sc1ccc(NC(=O)C2CCCNC2)c(C)c1.Cl.
What is the InChIKey of N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is FFTORIIGLOWOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2OS.ClH/c1-4-13(3)21-15-7-8-16(12(2)10-15)19-17(20)14-6-5-9-18-11-14;/h7-8,10,13-14,18H,4-6,9,11H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride?
N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 342.94 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylsulfanyl-2-methylphenyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119309248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).