[1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone

C23H29N3O3S — CID 1325965

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O3S/c27-23(25-17-15-24(16-18-25)19-20-7-3-1-4-8-20)21-11-13-26(14-12-21)30(28,29)22-9-5-2-6-10-22/h1-10,21H,11-19H2
InChIKeyNXBGBOCNAAGNMF-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.43
Rot. Bonds5

About [1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone

[1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone (PubChem CID 1325965) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone
PubChem CID1325965
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C23H29N3O3S/c27-23(25-17-15-24(16-18-25)19-20-7-3-1-4-8-20)21-11-13-26(14-12-21)30(28,29)22-9-5-2-6-10-22/h1-10,21H,11-19H2
InChIKeyNXBGBOCNAAGNMF-UHFFFAOYSA-N
XLogP2.43
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone (CID 1325965) is [1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone is O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone?
The InChIKey is NXBGBOCNAAGNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c27-23(25-17-15-24(16-18-25)19-20-7-3-1-4-8-20)21-11-13-26(14-12-21)30(28,29)22-9-5-2-6-10-22/h1-10,21H,11-19H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone?
[1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone has a molecular weight of 427.57 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-4-yl]-(4-benzylpiperazin-1-yl)methanone is sourced from PubChem (CID 1325965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).