1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone

C23H36N4O5S — CID 53118801

IUPAC1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)N2CCN(C(=O)C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H36N4O5S/c1-17-22(18(2)32-24-17)33(30,31)27-10-8-19(9-11-27)16-21(28)25-12-14-26(15-13-25)23(29)20-6-4-3-5-7-20/h19-20H,3-16H2,1-2H3
InChIKeyUDWUWBFAHOHZSF-UHFFFAOYSA-N
MW480.63 g/mol
LogP2.33
Rot. Bonds5

About 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone

1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone (PubChem CID 53118801) has the molecular formula C23H36N4O5S and a molecular weight of 480.63 g/mol. Its IUPAC name is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
PubChem CID53118801
Molecular FormulaC23H36N4O5S
Molecular Weight480.63 g/mol
Exact Mass480.24
IUPAC Name1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)N2CCN(C(=O)C3CCCCC3)CC2)CC1
InChIInChI=1S/C23H36N4O5S/c1-17-22(18(2)32-24-17)33(30,31)27-10-8-19(9-11-27)16-21(28)25-12-14-26(15-13-25)23(29)20-6-4-3-5-7-20/h19-20H,3-16H2,1-2H3
InChIKeyUDWUWBFAHOHZSF-UHFFFAOYSA-N
XLogP2.33
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopentyl-4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazine-1-carboxamide
CID 53118822
cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653
1-[4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]piperazin-1-yl]-2-ethylbutan-1-one
CID 53118802
4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 53118821
4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]piperazine-1-carbaldehyde
CID 110335350
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 53118707
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carbonyl]-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 55568120
(3-aminocyclopentyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119697348
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 119402643
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119487512

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone?
The IUPAC name of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone (CID 53118801) is 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone.
What is the SMILES notation for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone?
The canonical SMILES for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone is Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)N2CCN(C(=O)C3CCCCC3)CC2)CC1.
What is the InChIKey of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone?
The InChIKey is UDWUWBFAHOHZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O5S/c1-17-22(18(2)32-24-17)33(30,31)27-10-8-19(9-11-27)16-21(28)25-12-14-26(15-13-25)23(29)20-6-4-3-5-7-20/h19-20H,3-16H2,1-2H3.
What are the key properties of 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone?
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone has a molecular weight of 480.63 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone is sourced from PubChem (CID 53118801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).