2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

C21H35N5O6S — CID 55452649

IUPAC2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1
InChIInChI=1S/C21H35N5O6S/c1-16-20(17(2)32-23-16)33(29,30)26-8-4-6-18(14-26)21(28)25-11-9-24(10-12-25)15-19(27)22-7-5-13-31-3/h18H,4-15H2,1-3H3,(H,22,27)
InChIKeyDLTJYLWSXCTDSP-UHFFFAOYSA-N
MW485.61 g/mol
LogP-0.01
Rot. Bonds9

About 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide

2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (PubChem CID 55452649) has the molecular formula C21H35N5O6S and a molecular weight of 485.61 g/mol. Its IUPAC name is 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
PubChem CID55452649
Molecular FormulaC21H35N5O6S
Molecular Weight485.61 g/mol
Exact Mass485.23
IUPAC Name2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1
InChIInChI=1S/C21H35N5O6S/c1-16-20(17(2)32-23-16)33(29,30)26-8-4-6-18(14-26)21(28)25-11-9-24(10-12-25)15-19(27)22-7-5-13-31-3/h18H,4-15H2,1-3H3,(H,22,27)
InChIKeyDLTJYLWSXCTDSP-UHFFFAOYSA-N
XLogP-0.01
TPSA125.29 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cyclopentyl-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]methanone
CID 55566653
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936
N-(3-methoxypropyl)-2-[4-(1-propylsulfonylpiperidine-3-carbonyl)piperazin-1-yl]acetamide
CID 55682910
[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
[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]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 55526667
(2,6-dimethylmorpholin-4-yl)-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
CID 55451559
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
[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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide (CID 55452649) is 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CN1CCN(C(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1.
What is the InChIKey of 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
The InChIKey is DLTJYLWSXCTDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O6S/c1-16-20(17(2)32-23-16)33(29,30)26-8-4-6-18(14-26)21(28)25-11-9-24(10-12-25)15-19(27)22-7-5-13-31-3/h18H,4-15H2,1-3H3,(H,22,27).
What are the key properties of 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide?
2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide has a molecular weight of 485.61 g/mol, XLogP of -0.01, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 55452649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).