(4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone

C25H32N4O4S2 — CID 53006795

IUPAC(4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone
SMILESO=C(c1csc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1)N1CCCC1
InChIInChI=1S/C25H32N4O4S2/c30-24(28-16-14-26(15-17-28)22-6-2-1-3-7-22)20-8-12-29(13-9-20)35(32,33)23-18-21(19-34-23)25(31)27-10-4-5-11-27/h1-3,6-7,18-20H,4-5,8-17H2
InChIKeyIQUCTYMEXKPWBN-UHFFFAOYSA-N
MW516.69 g/mol
LogP2.73
Rot. Bonds5

About (4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone

(4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone (PubChem CID 53006795) has the molecular formula C25H32N4O4S2 and a molecular weight of 516.69 g/mol. Its IUPAC name is (4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone
PubChem CID53006795
Molecular FormulaC25H32N4O4S2
Molecular Weight516.69 g/mol
Exact Mass516.19
IUPAC Name(4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone
SMILESO=C(c1csc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1)N1CCCC1
InChIInChI=1S/C25H32N4O4S2/c30-24(28-16-14-26(15-17-28)22-6-2-1-3-7-22)20-8-12-29(13-9-20)35(32,33)23-18-21(19-34-23)25(31)27-10-4-5-11-27/h1-3,6-7,18-20H,4-5,8-17H2
InChIKeyIQUCTYMEXKPWBN-UHFFFAOYSA-N
XLogP2.73
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.69
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(azepan-1-ylsulfonyl)thiophen-3-yl]-piperidin-1-ylmethanone
CID 50777756
[5-(4-methylpiperidin-1-yl)sulfonylthiophen-3-yl]-piperidin-1-ylmethanone
CID 50777781
2,3-dihydroindol-1-yl-[1-[4-(morpholine-4-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone
CID 53074769
(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46602664
piperidin-1-yl-[5-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylthiophen-3-yl]methanone
CID 50777455
5-[4-(spiro[2.3]hexane-5-carbonyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid
CID 154742803
piperidin-1-yl-(1-thiophen-2-ylsulfonylpiperidin-4-yl)methanone
CID 4605989
[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 35503421
N-(4-cyanophenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53074737
N-(4-methoxyphenyl)-1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 53006794
cyclobutyl-[4-(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]methanone
CID 56510993
[5-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylthiophen-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 50777628

Frequently Asked Questions

What is the IUPAC name of (4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone (CID 53006795) is (4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone is O=C(c1csc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)c1)N1CCCC1.
What is the InChIKey of (4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone?
The InChIKey is IQUCTYMEXKPWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4S2/c30-24(28-16-14-26(15-17-28)22-6-2-1-3-7-22)20-8-12-29(13-9-20)35(32,33)23-18-21(19-34-23)25(31)27-10-4-5-11-27/h1-3,6-7,18-20H,4-5,8-17H2.
What are the key properties of (4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone?
(4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone has a molecular weight of 516.69 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 53006795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).