[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

C18H26N2O3S — CID 8502455

IUPAC[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-15-7-3-6-14-20(15)18(21)16-8-10-17(11-9-16)24(22,23)19-12-4-2-5-13-19/h8-11,15H,2-7,12-14H2,1H3/t15-/m1/s1
InChIKeyZXOJJSCWZVMHFD-OAHLLOKOSA-N
MW350.48 g/mol
LogP2.88
Rot. Bonds3

About [(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone

[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 8502455) has the molecular formula C18H26N2O3S and a molecular weight of 350.48 g/mol. Its IUPAC name is [(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID8502455
Molecular FormulaC18H26N2O3S
Molecular Weight350.48 g/mol
Exact Mass350.17
IUPAC Name[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
SMILESC[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C18H26N2O3S/c1-15-7-3-6-14-20(15)18(21)16-8-10-17(11-9-16)24(22,23)19-12-4-2-5-13-19/h8-11,15H,2-7,12-14H2,1H3/t15-/m1/s1
InChIKeyZXOJJSCWZVMHFD-OAHLLOKOSA-N
XLogP2.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylpiperidin-1-yl)-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 631597
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2553647
N-cyclopropyl-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 18106374
(4-aminophenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 713107
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
(3,5-dimethylmorpholin-4-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 110292329
(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 42889122
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
[1-(benzenesulfonyl)piperidin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1190400
(4-methylsulfonylpiperidin-1-yl)-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 90585194

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of [(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone (CID 8502455) is [(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for [(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for [(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone is C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of [(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is ZXOJJSCWZVMHFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O3S/c1-15-7-3-6-14-20(15)18(21)16-8-10-17(11-9-16)24(22,23)19-12-4-2-5-13-19/h8-11,15H,2-7,12-14H2,1H3/t15-/m1/s1.
What are the key properties of [(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone?
[(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 350.48 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-methylpiperidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 8502455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).