1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone

C23H35N5O4S — CID 45355973

IUPAC1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(CCN4CCCC4)CC3)c2)CC1
InChIInChI=1S/C23H35N5O4S/c1-20(29)26-15-17-28(18-16-26)33(31,32)22-6-4-5-21(19-22)23(30)27-13-11-25(12-14-27)10-9-24-7-2-3-8-24/h4-6,19H,2-3,7-18H2,1H3
InChIKeyJHFYBLNJODFYHR-UHFFFAOYSA-N
MW477.63 g/mol
LogP0.39
Rot. Bonds6

About 1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone

1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone (PubChem CID 45355973) has the molecular formula C23H35N5O4S and a molecular weight of 477.63 g/mol. Its IUPAC name is 1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone
PubChem CID45355973
Molecular FormulaC23H35N5O4S
Molecular Weight477.63 g/mol
Exact Mass477.24
IUPAC Name1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(CCN4CCCC4)CC3)c2)CC1
InChIInChI=1S/C23H35N5O4S/c1-20(29)26-15-17-28(18-16-26)33(31,32)22-6-4-5-21(19-22)23(30)27-13-11-25(12-14-27)10-9-24-7-2-3-8-24/h4-6,19H,2-3,7-18H2,1H3
InChIKeyJHFYBLNJODFYHR-UHFFFAOYSA-N
XLogP0.39
TPSA84.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.63
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone with MolForge

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Related Compounds

[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 112799545
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 31951872
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 34744032
azocan-1-yl-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502510
[3-(azetidin-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 142545287
[4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 55339492
[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 38991805
1-[4-[3-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 18280417
[3-(azepan-1-ylsulfonyl)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24627712
4-[3-(azepan-1-ylsulfonyl)benzoyl]-N,N-diethylpiperazine-1-sulfonamide
CID 24584449
4-[3-(4-ethylpiperazin-1-yl)sulfonylbenzoyl]piperazine-1-carbaldehyde
CID 109064308
4-[3-(pyrrolidine-1-carbonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 109063117

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone (CID 45355973) is 1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone is CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCN(CCN4CCCC4)CC3)c2)CC1.
What is the InChIKey of 1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone?
The InChIKey is JHFYBLNJODFYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O4S/c1-20(29)26-15-17-28(18-16-26)33(31,32)22-6-4-5-21(19-22)23(30)27-13-11-25(12-14-27)10-9-24-7-2-3-8-24/h4-6,19H,2-3,7-18H2,1H3.
What are the key properties of 1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone?
1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone has a molecular weight of 477.63 g/mol, XLogP of 0.39, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[4-(2-pyrrolidin-1-ylethyl)piperazine-1-carbonyl]phenyl]sulfonylpiperazin-1-yl]ethanone is sourced from PubChem (CID 45355973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).