(1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone

C17H25N3O3S — CID 1082616

IUPAC(1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)20-9-7-15(8-10-20)17(21)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyRPGYIVRKFFRRSB-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.01
Rot. Bonds3

About (1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone

(1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 1082616) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is (1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID1082616
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name(1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H25N3O3S/c1-24(22,23)20-9-7-15(8-10-20)17(21)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3
InChIKeyRPGYIVRKFFRRSB-UHFFFAOYSA-N
XLogP1.01
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 1082616) is (1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone is CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of (1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is RPGYIVRKFFRRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-24(22,23)20-9-7-15(8-10-20)17(21)19-13-11-18(12-14-19)16-5-3-2-4-6-16/h2-6,15H,7-14H2,1H3.
What are the key properties of (1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 351.47 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 1082616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).