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

C18H27N3O3S — CID 3236567

IUPAC(1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-25(23,24)21-10-8-16(9-11-21)18(22)20-14-12-19(13-15-20)17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3
InChIKeyYMQQXVOFGCOPDF-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.40
Rot. Bonds4

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

(1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 3236567) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is (1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID3236567
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name(1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H27N3O3S/c1-2-25(23,24)21-10-8-16(9-11-21)18(22)20-14-12-19(13-15-20)17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3
InChIKeyYMQQXVOFGCOPDF-UHFFFAOYSA-N
XLogP1.40
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone (CID 3236567) is (1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone is CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of (1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is YMQQXVOFGCOPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-2-25(23,24)21-10-8-16(9-11-21)18(22)20-14-12-19(13-15-20)17-6-4-3-5-7-17/h3-7,16H,2,8-15H2,1H3.
What are the key properties of (1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone?
(1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 365.50 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 3236567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).