(4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone

C19H26N2O3S — CID 51262292

IUPAC(4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone
SMILESO=C(C1CC2CCC1C2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2O3S/c22-19(18-13-16-6-7-17(18)12-16)20-8-10-21(11-9-20)25(23,24)14-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2
InChIKeyWUIXAXUMZCBXSV-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.10
Rot. Bonds4

About (4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone

(4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone (PubChem CID 51262292) has the molecular formula C19H26N2O3S and a molecular weight of 362.50 g/mol. Its IUPAC name is (4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone.

Molecular Properties

Compound Name(4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone
PubChem CID51262292
Molecular FormulaC19H26N2O3S
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name(4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone
SMILESO=C(C1CC2CCC1C2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
InChIInChI=1S/C19H26N2O3S/c22-19(18-13-16-6-7-17(18)12-16)20-8-10-21(11-9-20)25(23,24)14-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2
InChIKeyWUIXAXUMZCBXSV-UHFFFAOYSA-N
XLogP2.10
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
2-bicyclo[2.2.1]heptanyl-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]methanone
CID 51261956
(4-benzylsulfonylpiperazin-1-yl)-(3-phenylpyrazolidin-4-yl)methanone
CID 52973668
(4-benzylsulfonylpiperazin-1-yl)-[(2R,6R)-2,6-dimethyloxan-4-yl]methanone
CID 97160690
(1-benzylsulfonylpiperidin-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 28564423
(4-benzylsulfonylpiperazin-1-yl)-(2-hydroxyphenyl)methanone
CID 51151956
5-(4-benzylsulfonylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120684796
2-bicyclo[2.2.1]heptanyl-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 22109780
(4R)-4-(4-benzylsulfonylpiperazine-1-carbonyl)-1-cyclopentylpyrrolidin-2-one
CID 9209266
2-[4-(1-benzylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 55686496
2-(1-benzylsulfonylpiperidin-4-yl)acetic acid
CID 78980334
4-benzylsulfonylpiperazine-1-carbaldehyde
CID 3750884

Frequently Asked Questions

What is the IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone?
The IUPAC name of (4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone (CID 51262292) is (4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone.
What is the SMILES notation for (4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone?
The canonical SMILES for (4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone is O=C(C1CC2CCC1C2)N1CCN(S(=O)(=O)Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone?
The InChIKey is WUIXAXUMZCBXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3S/c22-19(18-13-16-6-7-17(18)12-16)20-8-10-21(11-9-20)25(23,24)14-15-4-2-1-3-5-15/h1-5,16-18H,6-14H2.
What are the key properties of (4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone?
(4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone has a molecular weight of 362.50 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylsulfonylpiperazin-1-yl)-(2-bicyclo[2.2.1]heptanyl)methanone is sourced from PubChem (CID 51262292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).