[4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone

C25H27FN4O3S — CID 5308986

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H27FN4O3S/c26-21-9-1-2-10-22(21)28-14-16-29(17-15-28)25(31)20-8-5-13-30(18-20)34(32,33)23-11-3-6-19-7-4-12-27-24(19)23/h1-4,6-7,9-12,20H,5,8,13-18H2
InChIKeySXQAWNNSDODFPN-UHFFFAOYSA-N
MW482.58 g/mol
LogP3.12
Rot. Bonds4

About [4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone

[4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone (PubChem CID 5308986) has the molecular formula C25H27FN4O3S and a molecular weight of 482.58 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
PubChem CID5308986
Molecular FormulaC25H27FN4O3S
Molecular Weight482.58 g/mol
Exact Mass482.18
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone
SMILESO=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C25H27FN4O3S/c26-21-9-1-2-10-22(21)28-14-16-29(17-15-28)25(31)20-8-5-13-30(18-20)34(32,33)23-11-3-6-19-7-4-12-27-24(19)23/h1-4,6-7,9-12,20H,5,8,13-18H2
InChIKeySXQAWNNSDODFPN-UHFFFAOYSA-N
XLogP3.12
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone (CID 5308986) is [4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone is O=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone?
The InChIKey is SXQAWNNSDODFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O3S/c26-21-9-1-2-10-22(21)28-14-16-29(17-15-28)25(31)20-8-5-13-30(18-20)34(32,33)23-11-3-6-19-7-4-12-27-24(19)23/h1-4,6-7,9-12,20H,5,8,13-18H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone has a molecular weight of 482.58 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-(1-quinolin-8-ylsulfonylpiperidin-3-yl)methanone is sourced from PubChem (CID 5308986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).