N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide

C16H24N2O5S2 — CID 47058453

IUPACN-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1
InChIInChI=1S/C16H24N2O5S2/c1-4-16(19)17-12-7-9-18(10-8-12)14-6-5-13(24(2,20)21)11-15(14)25(3,22)23/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyGIYSPLKPBITKTO-UHFFFAOYSA-N
MW388.51 g/mol
LogP0.99
Rot. Bonds5

About N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide

N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide (PubChem CID 47058453) has the molecular formula C16H24N2O5S2 and a molecular weight of 388.51 g/mol. Its IUPAC name is N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide
PubChem CID47058453
Molecular FormulaC16H24N2O5S2
Molecular Weight388.51 g/mol
Exact Mass388.11
IUPAC NameN-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide
SMILESCCC(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1
InChIInChI=1S/C16H24N2O5S2/c1-4-16(19)17-12-7-9-18(10-8-12)14-6-5-13(24(2,20)21)11-15(14)25(3,22)23/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19)
InChIKeyGIYSPLKPBITKTO-UHFFFAOYSA-N
XLogP0.99
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide
CID 47058432
1-[2,4-bis(methylsulfonyl)phenyl]-4-ethylpiperidine
CID 56797131
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol
CID 22109063
1-[2,4-bis(methylsulfonyl)phenyl]-4-methylazepane
CID 56800063
5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide
CID 56578618
1-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-2-bromoethanone
CID 118513757
1-[2,4-bis(methylsulfonyl)phenyl]-3-methylpiperidine
CID 17408554
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-3-ol
CID 47015654
N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 56578586
N-[1-(ethylcarbamoyl)piperidin-4-yl]-5-methylsulfonyl-2,3-dihydroindole-1-carboxamide
CID 24736718
[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55866133
4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine
CID 42926998

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide?
The IUPAC name of N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide (CID 47058453) is N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide is CCC(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide?
The InChIKey is GIYSPLKPBITKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5S2/c1-4-16(19)17-12-7-9-18(10-8-12)14-6-5-13(24(2,20)21)11-15(14)25(3,22)23/h5-6,11-12H,4,7-10H2,1-3H3,(H,17,19).
What are the key properties of N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide?
N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide has a molecular weight of 388.51 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 47058453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).