cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone

C21H32N4O5S — CID 55566653

IUPACcyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(C(=O)C3CCCC3)CC2)C1
InChIInChI=1S/C21H32N4O5S/c1-15-19(16(2)30-22-15)31(28,29)25-9-5-8-18(14-25)21(27)24-12-10-23(11-13-24)20(26)17-6-3-4-7-17/h17-18H,3-14H2,1-2H3
InChIKeyRGWPHMUCAFXRQL-UHFFFAOYSA-N
MW452.58 g/mol
LogP1.55
Rot. Bonds4

About cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone

cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone (PubChem CID 55566653) has the molecular formula C21H32N4O5S and a molecular weight of 452.58 g/mol. Its IUPAC name is cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
PubChem CID55566653
Molecular FormulaC21H32N4O5S
Molecular Weight452.58 g/mol
Exact Mass452.21
IUPAC Namecyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(C(=O)C3CCCC3)CC2)C1
InChIInChI=1S/C21H32N4O5S/c1-15-19(16(2)30-22-15)31(28,29)25-9-5-8-18(14-25)21(27)24-12-10-23(11-13-24)20(26)17-6-3-4-7-17/h17-18H,3-14H2,1-2H3
InChIKeyRGWPHMUCAFXRQL-UHFFFAOYSA-N
XLogP1.55
TPSA104.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-piperazin-1-ylmethanone
CID 119402643
[4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
CID 55685462
(2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
CID 55451559
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491783
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20855591
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 53118801
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55452649

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone (CID 55566653) is cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(C(=O)C3CCCC3)CC2)C1.
What is the InChIKey of cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone?
The InChIKey is RGWPHMUCAFXRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O5S/c1-15-19(16(2)30-22-15)31(28,29)25-9-5-8-18(14-25)21(27)24-12-10-23(11-13-24)20(26)17-6-3-4-7-17/h17-18H,3-14H2,1-2H3.
What are the key properties of cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone?
cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone has a molecular weight of 452.58 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55566653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).