N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide

C15H22N2OS — CID 62211363

IUPACN-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
SMILESCSc1ccc(NC(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-19-14-5-3-13(4-6-14)17-15(18)7-2-12-8-10-16-11-9-12/h3-6,12,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyULQWGASQKCBHNI-UHFFFAOYSA-N
MW278.42 g/mol
LogP3.13
Rot. Bonds5

About N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide

N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide (PubChem CID 62211363) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
PubChem CID62211363
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC NameN-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide
SMILESCSc1ccc(NC(=O)CCC2CCNCC2)cc1
InChIInChI=1S/C15H22N2OS/c1-19-14-5-3-13(4-6-14)17-15(18)7-2-12-8-10-16-11-9-12/h3-6,12,16H,2,7-11H2,1H3,(H,17,18)
InChIKeyULQWGASQKCBHNI-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylsulfonylphenyl)-3-piperidin-4-ylpropanamide
CID 62211718
N-[4-(methoxymethyl)phenyl]-3-piperidin-4-ylpropanamide
CID 175746452
N-(4-methylsulfanylphenyl)-3-piperidin-2-ylpropanamide
CID 62211364
N-[4-(2-amino-2-oxoethyl)phenyl]-3-piperidin-4-ylpropanamide
CID 62212099
N-(3,5-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 62210143
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
N-[4-(difluoromethoxy)phenyl]-3-piperidin-4-ylpropanamide
CID 62210859
2-fluoro-5-(3-piperidin-4-ylpropanoylamino)benzoic acid
CID 62210193
3-(cyclopropylamino)-N-(4-methylsulfanylphenyl)propanamide
CID 60842098
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
3-piperidin-4-yl-N-quinoxalin-6-ylpropanamide
CID 62211768
N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide?
The IUPAC name of N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide (CID 62211363) is N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide is CSc1ccc(NC(=O)CCC2CCNCC2)cc1.
What is the InChIKey of N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide?
The InChIKey is ULQWGASQKCBHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-19-14-5-3-13(4-6-14)17-15(18)7-2-12-8-10-16-11-9-12/h3-6,12,16H,2,7-11H2,1H3,(H,17,18).
What are the key properties of N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide?
N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide has a molecular weight of 278.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylphenyl)-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62211363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).