[4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone

C18H30N4O4S — CID 55685462

IUPAC[4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCC(N(C)C)CC2)C1
InChIInChI=1S/C18H30N4O4S/c1-13-17(14(2)26-19-13)27(24,25)22-9-5-6-15(12-22)18(23)21-10-7-16(8-11-21)20(3)4/h15-16H,5-12H2,1-4H3
InChIKeyBSFXKFGEIPVCJZ-UHFFFAOYSA-N
MW398.53 g/mol
LogP1.24
Rot. Bonds4

About [4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone

[4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone (PubChem CID 55685462) has the molecular formula C18H30N4O4S and a molecular weight of 398.53 g/mol. Its IUPAC name is [4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
PubChem CID55685462
Molecular FormulaC18H30N4O4S
Molecular Weight398.53 g/mol
Exact Mass398.20
IUPAC Name[4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCC(N(C)C)CC2)C1
InChIInChI=1S/C18H30N4O4S/c1-13-17(14(2)26-19-13)27(24,25)22-9-5-6-15(12-22)18(23)21-10-7-16(8-11-21)20(3)4/h15-16H,5-12H2,1-4H3
InChIKeyBSFXKFGEIPVCJZ-UHFFFAOYSA-N
XLogP1.24
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-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
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]-piperazin-1-ylmethanone
CID 119402643
(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
(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
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20855591
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 2812656
(3R)-N-cycloheptyl-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 40502064
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-methyl-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
CID 86833522
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 55463538

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
The IUPAC name of [4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone (CID 55685462) is [4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
The canonical SMILES for [4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone is Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCC(N(C)C)CC2)C1.
What is the InChIKey of [4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
The InChIKey is BSFXKFGEIPVCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O4S/c1-13-17(14(2)26-19-13)27(24,25)22-9-5-6-15(12-22)18(23)21-10-7-16(8-11-21)20(3)4/h15-16H,5-12H2,1-4H3.
What are the key properties of [4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone?
[4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone has a molecular weight of 398.53 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)piperidin-1-yl]-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]methanone is sourced from PubChem (CID 55685462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).