1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone

C24H32FN3O5S — CID 134133165

IUPAC1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone
SMILESCC(=O)N1CCN(C(=O)CC2([C@H]3COC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H32FN3O5S/c1-17(29)26-10-12-27(13-11-26)23(30)14-24(8-9-24)22-16-33-15-21(18-2-3-18)28(22)34(31,32)20-6-4-19(25)5-7-20/h4-7,18,21-22H,2-3,8-16H2,1H3/t21-,22+/m0/s1
InChIKeyPSIXVFRBHYZYAL-FCHUYYIVSA-N
MW493.60 g/mol
LogP1.85
Rot. Bonds6

About 1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone

1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone (PubChem CID 134133165) has the molecular formula C24H32FN3O5S and a molecular weight of 493.60 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone
PubChem CID134133165
Molecular FormulaC24H32FN3O5S
Molecular Weight493.60 g/mol
Exact Mass493.20
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone
SMILESCC(=O)N1CCN(C(=O)CC2([C@H]3COC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C24H32FN3O5S/c1-17(29)26-10-12-27(13-11-26)23(30)14-24(8-9-24)22-16-33-15-21(18-2-3-18)28(22)34(31,32)20-6-4-19(25)5-7-20/h4-7,18,21-22H,2-3,8-16H2,1H3/t21-,22+/m0/s1
InChIKeyPSIXVFRBHYZYAL-FCHUYYIVSA-N
XLogP1.85
TPSA87.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.60
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]cyclopropyl]-1-[4-(1-hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanone
CID 59389208
1-(8-acetyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-2-[1-[(3S,5R)-4-(4-chlorophenyl)sulfonyl-5-cyclopropylmorpholin-3-yl]cyclopropyl]ethanone
CID 59389234
2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[(2S)-4-(1-hydroxy-2-methylpropan-2-yl)-2-methylpiperazin-1-yl]ethanone
CID 134132313
2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 134141016
2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 134143396
[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 1327341
[1-(3-Fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 18086474
[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24584139
1-(4-fluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide
CID 24633492
1-(2,5-difluorophenyl)sulfonyl-N-(4-methyl-2-morpholin-4-ylpentyl)piperidine-4-carboxamide
CID 24666838
[1-(2-Fluorophenyl)sulfonylpiperidin-4-yl]-morpholin-4-ylmethanone
CID 26583430
2-fluoro-N-[(2S)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 38491478

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone (CID 134133165) is 1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone is CC(=O)N1CCN(C(=O)CC2([C@H]3COC[C@@H](C4CC4)N3S(=O)(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone?
The InChIKey is PSIXVFRBHYZYAL-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H32FN3O5S/c1-17(29)26-10-12-27(13-11-26)23(30)14-24(8-9-24)22-16-33-15-21(18-2-3-18)28(22)34(31,32)20-6-4-19(25)5-7-20/h4-7,18,21-22H,2-3,8-16H2,1H3/t21-,22+/m0/s1.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone has a molecular weight of 493.60 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[1-[(3S,5R)-5-cyclopropyl-4-(4-fluorophenyl)sulfonylmorpholin-3-yl]cyclopropyl]ethanone is sourced from PubChem (CID 134133165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).