[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone

C21H25ClN2O3S — CID 133360026

IUPAC[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C21H25ClN2O3S/c1-21(2,3)28(26,27)19-9-8-18(14-23-19)24-12-10-16(11-13-24)20(25)15-4-6-17(22)7-5-15/h4-9,14,16H,10-13H2,1-3H3
InChIKeyRKXGKYUUFRYPMO-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.41
Rot. Bonds4

About [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone

[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone (PubChem CID 133360026) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone
PubChem CID133360026
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C21H25ClN2O3S/c1-21(2,3)28(26,27)19-9-8-18(14-23-19)24-12-10-16(11-13-24)20(25)15-4-6-17(22)7-5-15/h4-9,14,16H,10-13H2,1-3H3
InChIKeyRKXGKYUUFRYPMO-UHFFFAOYSA-N
XLogP4.41
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(6-tert-butylsulfonyl-3-pyridinyl)piperazin-1-yl]-(3-chlorophenyl)methanone
CID 133373456
[4-(6-tert-butylsulfonyl-3-pyridinyl)-1,4-diazepan-1-yl]-(3-chlorophenyl)methanone
CID 133360122
N-[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-2-fluorobenzamide
CID 133373930
2-tert-butylsulfonyl-5-[4-(2-methylpropoxy)piperidin-1-yl]pyridine
CID 133359969
1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylsulfanylazepane
CID 102560377
[(3R)-1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 96534194
6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133298305
1-(6-tert-butylsulfonyl-3-pyridinyl)-3-methylpyrrolidin-3-ol
CID 133410682
N-[[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-3-yl]methyl]acetamide
CID 133360362
[4-(6-tert-butylsulfonyl-3-pyridinyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 133373545
(4-chlorophenyl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 1438183
tert-butyl 4-(4-chlorobenzoyl)piperidine-1-carboxylate
CID 10519988

Frequently Asked Questions

What is the IUPAC name of [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The IUPAC name of [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone (CID 133360026) is [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone.
What is the SMILES notation for [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The canonical SMILES for [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone is CC(C)(C)S(=O)(=O)c1ccc(N2CCC(C(=O)c3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
The InChIKey is RKXGKYUUFRYPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-21(2,3)28(26,27)19-9-8-18(14-23-19)24-12-10-16(11-13-24)20(25)15-4-6-17(22)7-5-15/h4-9,14,16H,10-13H2,1-3H3.
What are the key properties of [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone?
[1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone has a molecular weight of 420.96 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-tert-butylsulfonyl-3-pyridinyl)piperidin-4-yl]-(4-chlorophenyl)methanone is sourced from PubChem (CID 133360026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).