N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride

C16H25ClN2OS — CID 119315492

IUPACN-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)Sc1ccc(NC(=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-16(2,3)20-13-9-7-12(8-10-13)18-15(19)14-6-4-5-11-17-14;/h7-10,14,17H,4-6,11H2,1-3H3,(H,18,19);1H
InChIKeyXEVQXYRVWCIBON-UHFFFAOYSA-N
MW328.91 g/mol
LogP4.08
Rot. Bonds3

About N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride

N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119315492) has the molecular formula C16H25ClN2OS and a molecular weight of 328.91 g/mol. Its IUPAC name is N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119315492
Molecular FormulaC16H25ClN2OS
Molecular Weight328.91 g/mol
Exact Mass328.14
IUPAC NameN-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(C)Sc1ccc(NC(=O)C2CCCCN2)cc1.Cl
InChIInChI=1S/C16H24N2OS.ClH/c1-16(2,3)20-13-9-7-12(8-10-13)18-15(19)14-6-4-5-11-17-14;/h7-10,14,17H,4-6,11H2,1-3H3,(H,18,19);1H
InChIKeyXEVQXYRVWCIBON-UHFFFAOYSA-N
XLogP4.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(trifluoromethylsulfanyl)phenyl]azepane-2-carboxamide
CID 64563218
(2R)-N-(4-methylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119670939
N-(4-tert-butylsulfanylphenyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119042537
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-[4-(tert-butylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119703073
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-2-carboxamide
CID 110462338
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 43426858
N-(4-methoxyphenyl)piperidine-2-carboxamide;hydrochloride
CID 56832268
(2S)-N-[4-(2-methylpropanoylamino)phenyl]piperidine-2-carboxamide
CID 103808067
N-(4-tert-butylsulfanylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119315518

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride (CID 119315492) is N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride is CC(C)(C)Sc1ccc(NC(=O)C2CCCCN2)cc1.Cl.
What is the InChIKey of N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is XEVQXYRVWCIBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS.ClH/c1-16(2,3)20-13-9-7-12(8-10-13)18-15(19)14-6-4-5-11-17-14;/h7-10,14,17H,4-6,11H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride?
N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119315492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).