1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide

C22H38N4O5S — CID 55550282

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide
SMILESCCC(CC)C(CNC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1)N1CCOCC1
InChIInChI=1S/C22H38N4O5S/c1-5-18(6-2)20(25-10-12-30-13-11-25)14-23-22(27)19-8-7-9-26(15-19)32(28,29)21-16(3)24-31-17(21)4/h18-20H,5-15H2,1-4H3,(H,23,27)
InChIKeyONSBLXOWNRJVRU-UHFFFAOYSA-N
MW470.64 g/mol
LogP1.95
Rot. Bonds9

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide (PubChem CID 55550282) has the molecular formula C22H38N4O5S and a molecular weight of 470.64 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide
PubChem CID55550282
Molecular FormulaC22H38N4O5S
Molecular Weight470.64 g/mol
Exact Mass470.26
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide
SMILESCCC(CC)C(CNC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1)N1CCOCC1
InChIInChI=1S/C22H38N4O5S/c1-5-18(6-2)20(25-10-12-30-13-11-25)14-23-22(27)19-8-7-9-26(15-19)32(28,29)21-16(3)24-31-17(21)4/h18-20H,5-15H2,1-4H3,(H,23,27)
InChIKeyONSBLXOWNRJVRU-UHFFFAOYSA-N
XLogP1.95
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.64
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-hydroxy-2-phenylethyl)piperidine-3-carboxamide
CID 55456972
N-[2-(diethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 55451540
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylbutan-2-yl)piperidine-3-carboxamide
CID 51265069
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]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 3756181
(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 7030539
(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-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-3-carboxamide
CID 55526450
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 20855589
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-[3-(4-methylpiperidin-1-yl)propyl]piperidine-3-carboxamide
CID 55526667
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 51264936

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide (CID 55550282) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide is CCC(CC)C(CNC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1)N1CCOCC1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide?
The InChIKey is ONSBLXOWNRJVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O5S/c1-5-18(6-2)20(25-10-12-30-13-11-25)14-23-22(27)19-8-7-9-26(15-19)32(28,29)21-16(3)24-31-17(21)4/h18-20H,5-15H2,1-4H3,(H,23,27).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide has a molecular weight of 470.64 g/mol, XLogP of 1.95, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(3-ethyl-2-morpholin-4-ylpentyl)piperidine-3-carboxamide is sourced from PubChem (CID 55550282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).