[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone

C18H25ClN2O3S — CID 113003064

IUPAC[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)ccc1Cl
InChIInChI=1S/C18H25ClN2O3S/c1-14-13-16(5-6-17(14)19)25(23,24)21-11-7-15(8-12-21)18(22)20-9-3-2-4-10-20/h5-6,13,15H,2-4,7-12H2,1H3
InChIKeyCPPCCDIXOOZBGT-UHFFFAOYSA-N
MW384.93 g/mol
LogP3.06
Rot. Bonds3

About [1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone

[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone (PubChem CID 113003064) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is [1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
PubChem CID113003064
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone
SMILESCc1cc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)ccc1Cl
InChIInChI=1S/C18H25ClN2O3S/c1-14-13-16(5-6-17(14)19)25(23,24)21-11-7-15(8-12-21)18(22)20-9-3-2-4-10-20/h5-6,13,15H,2-4,7-12H2,1H3
InChIKeyCPPCCDIXOOZBGT-UHFFFAOYSA-N
XLogP3.06
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4806788
[1-(3-chloro-4-methylphenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 39633013
[1-(3,4-dimethylphenyl)sulfonylpiperidin-4-yl]-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 24667255
azepan-1-yl-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]methanone
CID 30855869
[1-(4-fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 113003143
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 17407991
4-[[1-(4-chloro-3-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoic acid
CID 1444979
[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 26500531
[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-cyclopentylmethanone
CID 8699978
azepan-1-yl-[1-(2,4,6-trimethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 27658984
1-(4-chloro-3-methylphenyl)sulfonyl-4-cyclohexylpiperazine
CID 113073090

Frequently Asked Questions

What is the IUPAC name of [1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone (CID 113003064) is [1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone is Cc1cc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)ccc1Cl.
What is the InChIKey of [1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is CPPCCDIXOOZBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3S/c1-14-13-16(5-6-17(14)19)25(23,24)21-11-7-15(8-12-21)18(22)20-9-3-2-4-10-20/h5-6,13,15H,2-4,7-12H2,1H3.
What are the key properties of [1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone?
[1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 384.93 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chloro-3-methylphenyl)sulfonylpiperidin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 113003064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).