N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide

C16H24N2OS — CID 82182072

IUPACN-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide
SMILESCc1ccc(NC(=O)C(C)SCC2CCCNC2)cc1
InChIInChI=1S/C16H24N2OS/c1-12-5-7-15(8-6-12)18-16(19)13(2)20-11-14-4-3-9-17-10-14/h5-8,13-14,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyQPALSKAKJWTNGW-UHFFFAOYSA-N
MW292.45 g/mol
LogP3.05
Rot. Bonds5

About N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide

N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide (PubChem CID 82182072) has the molecular formula C16H24N2OS and a molecular weight of 292.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide
PubChem CID82182072
Molecular FormulaC16H24N2OS
Molecular Weight292.45 g/mol
Exact Mass292.16
IUPAC NameN-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide
SMILESCc1ccc(NC(=O)C(C)SCC2CCCNC2)cc1
InChIInChI=1S/C16H24N2OS/c1-12-5-7-15(8-6-12)18-16(19)13(2)20-11-14-4-3-9-17-10-14/h5-8,13-14,17H,3-4,9-11H2,1-2H3,(H,18,19)
InChIKeyQPALSKAKJWTNGW-UHFFFAOYSA-N
XLogP3.05
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide
CID 119425787
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-pyrrolidin-3-ylethyl)propanamide;hydrochloride
CID 119534892
N-phenyl-2-(piperidin-3-ylmethoxy)propanamide
CID 62340568
N-(4-methylphenyl)-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 103815598
N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926
N-phenyl-2-piperidin-3-ylsulfanylpropanamide
CID 84754961
2-(4-acetamidophenyl)sulfanyl-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119557523
1-(4-methylphenyl)-2-piperidin-3-ylethanone
CID 84683077
3-[(4-methylphenyl)sulfanylmethyl]piperidine;hydrochloride
CID 72716539
2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428204
3-methyl-N-[4-(piperidin-3-ylmethyl)phenyl]butanamide
CID 82260307
2-(cyclohexylmethylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 60603562

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide?
The IUPAC name of N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide (CID 82182072) is N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide.
What is the SMILES notation for N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide?
The canonical SMILES for N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide is Cc1ccc(NC(=O)C(C)SCC2CCCNC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide?
The InChIKey is QPALSKAKJWTNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS/c1-12-5-7-15(8-6-12)18-16(19)13(2)20-11-14-4-3-9-17-10-14/h5-8,13-14,17H,3-4,9-11H2,1-2H3,(H,18,19).
What are the key properties of N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide?
N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide has a molecular weight of 292.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-(piperidin-3-ylmethylsulfanyl)propanamide is sourced from PubChem (CID 82182072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).