[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone

C24H33N5O3S — CID 43062320

IUPAC[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCN(c4cnccn4)C3)CC2)cc1
InChIInChI=1S/C24H33N5O3S/c1-3-19(2)20-6-8-22(9-7-20)33(31,32)29-15-13-27(14-16-29)24(30)21-5-4-12-28(18-21)23-17-25-10-11-26-23/h6-11,17,19,21H,3-5,12-16,18H2,1-2H3
InChIKeyHLIAGIALKUKQKL-UHFFFAOYSA-N
MW471.63 g/mol
LogP2.74
Rot. Bonds6

About [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone

[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone (PubChem CID 43062320) has the molecular formula C24H33N5O3S and a molecular weight of 471.63 g/mol. Its IUPAC name is [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
PubChem CID43062320
Molecular FormulaC24H33N5O3S
Molecular Weight471.63 g/mol
Exact Mass471.23
IUPAC Name[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
SMILESCCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCN(c4cnccn4)C3)CC2)cc1
InChIInChI=1S/C24H33N5O3S/c1-3-19(2)20-6-8-22(9-7-20)33(31,32)29-15-13-27(14-16-29)24(30)21-5-4-12-28(18-21)23-17-25-10-11-26-23/h6-11,17,19,21H,3-5,12-16,18H2,1-2H3
InChIKeyHLIAGIALKUKQKL-UHFFFAOYSA-N
XLogP2.74
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 7944162
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonylpiperidin-3-yl)methanone
CID 55556370
[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone
CID 43062166
N'-[4-(4-methylpiperazin-1-yl)sulfonylbenzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
CID 43062207
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119268600
ethyl 4-[4-(4-pyrazin-2-ylpiperazine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate
CID 42022539
N-propan-2-yl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950778
N-[2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]cyclopentanecarboxamide
CID 55648006
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 36990549
2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 42317806
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 42950718

Frequently Asked Questions

What is the IUPAC name of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
The IUPAC name of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone (CID 43062320) is [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone is CCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCN(c4cnccn4)C3)CC2)cc1.
What is the InChIKey of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
The InChIKey is HLIAGIALKUKQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3S/c1-3-19(2)20-6-8-22(9-7-20)33(31,32)29-15-13-27(14-16-29)24(30)21-5-4-12-28(18-21)23-17-25-10-11-26-23/h6-11,17,19,21H,3-5,12-16,18H2,1-2H3.
What are the key properties of [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone?
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone has a molecular weight of 471.63 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(1-pyrazin-2-ylpiperidin-3-yl)methanone is sourced from PubChem (CID 43062320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).