N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide

C20H32N2OS — CID 53283577

IUPACN-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)CC1
InChIInChI=1S/C20H32N2OS/c1-16-9-12-22(13-10-16)15-17-5-7-18(8-6-17)19(23)21-11-14-24-20(2,3)4/h5-8,16H,9-15H2,1-4H3,(H,21,23)
InChIKeyOSDHDGDMROIGLY-UHFFFAOYSA-N
MW348.56 g/mol
LogP4.18
Rot. Bonds6

About N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide

N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (PubChem CID 53283577) has the molecular formula C20H32N2OS and a molecular weight of 348.56 g/mol. Its IUPAC name is N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
PubChem CID53283577
Molecular FormulaC20H32N2OS
Molecular Weight348.56 g/mol
Exact Mass348.22
IUPAC NameN-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
SMILESCC1CCN(Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)CC1
InChIInChI=1S/C20H32N2OS/c1-16-9-12-22(13-10-16)15-17-5-7-18(8-6-17)19(23)21-11-14-24-20(2,3)4/h5-8,16H,9-15H2,1-4H3,(H,21,23)
InChIKeyOSDHDGDMROIGLY-UHFFFAOYSA-N
XLogP4.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.56
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43918767
4-[(4-methylpiperidin-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 92682310
4-[[4-[(4-methylpiperidin-1-yl)methyl]benzoyl]amino]benzoic acid
CID 46772046
N-(2-tert-butylsulfanylethyl)-1-[(3,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 43922756
N-[3-(2-chlorophenyl)propyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 46773354
N-(3-methylbutan-2-yl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 133249994
N-[(2R)-3-methylbutan-2-yl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 100568254
4-chloro-N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]benzamide
CID 38400279
N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
N-[(4-ethoxyphenyl)methyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 53283400
4-[[(3S)-3-methylpiperidin-1-yl]methyl]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 92672834
N-(3-imidazol-1-ylpropyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 43910415

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The IUPAC name of N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide (CID 53283577) is N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide.
What is the SMILES notation for N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The canonical SMILES for N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is CC1CCN(Cc2ccc(C(=O)NCCSC(C)(C)C)cc2)CC1.
What is the InChIKey of N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
The InChIKey is OSDHDGDMROIGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2OS/c1-16-9-12-22(13-10-16)15-17-5-7-18(8-6-17)19(23)21-11-14-24-20(2,3)4/h5-8,16H,9-15H2,1-4H3,(H,21,23).
What are the key properties of N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide?
N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide has a molecular weight of 348.56 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylsulfanylethyl)-4-[(4-methylpiperidin-1-yl)methyl]benzamide is sourced from PubChem (CID 53283577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).