(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone

C25H28N4O3S — CID 5307315

IUPAC(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H28N4O3S/c30-25(28-18-16-27(17-19-28)22-8-2-1-3-9-22)21-11-14-29(15-12-21)33(31,32)23-10-4-6-20-7-5-13-26-24(20)23/h1-10,13,21H,11-12,14-19H2
InChIKeyKXHGYLLUCCJNLQ-UHFFFAOYSA-N
MW464.59 g/mol
LogP2.98
Rot. Bonds4

About (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone

(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 5307315) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
PubChem CID5307315
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone
SMILESO=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H28N4O3S/c30-25(28-18-16-27(17-19-28)22-8-2-1-3-9-22)21-11-14-29(15-12-21)33(31,32)23-10-4-6-20-7-5-13-26-24(20)23/h1-10,13,21H,11-12,14-19H2
InChIKeyKXHGYLLUCCJNLQ-UHFFFAOYSA-N
XLogP2.98
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone (CID 5307315) is (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone is O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is KXHGYLLUCCJNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c30-25(28-18-16-27(17-19-28)22-8-2-1-3-9-22)21-11-14-29(15-12-21)33(31,32)23-10-4-6-20-7-5-13-26-24(20)23/h1-10,13,21H,11-12,14-19H2.
What are the key properties of (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone?
(4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 464.59 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-(1-quinolin-8-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 5307315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).