2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide

C18H31N3O5S — CID 53118710

IUPAC2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCCOC(C)C)CC1
InChIInChI=1S/C18H31N3O5S/c1-13(2)25-11-5-8-19-17(22)12-16-6-9-21(10-7-16)27(23,24)18-14(3)20-26-15(18)4/h13,16H,5-12H2,1-4H3,(H,19,22)
InChIKeyXBGNXIPUJPFJJS-UHFFFAOYSA-N
MW401.53 g/mol
LogP2.01
Rot. Bonds9

About 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide (PubChem CID 53118710) has the molecular formula C18H31N3O5S and a molecular weight of 401.53 g/mol. Its IUPAC name is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide.

Molecular Properties

Compound Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
PubChem CID53118710
Molecular FormulaC18H31N3O5S
Molecular Weight401.53 g/mol
Exact Mass401.20
IUPAC Name2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCCOC(C)C)CC1
InChIInChI=1S/C18H31N3O5S/c1-13(2)25-11-5-8-19-17(22)12-16-6-9-21(10-7-16)27(23,24)18-14(3)20-26-15(18)4/h13,16H,5-12H2,1-4H3,(H,19,22)
InChIKeyXBGNXIPUJPFJJS-UHFFFAOYSA-N
XLogP2.01
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propylacetamide
CID 53118695
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95088604
(2R)-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[3-(4-propylpiperazin-1-yl)propyl]propanamide
CID 95088619
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-methylbutyl)propanamide
CID 53118750
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]acetamide
CID 53118718
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 53118704
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methylpropanamide
CID 110823350
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 27539426
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119978160
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-propan-2-ylpropanamide
CID 53118745
4-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]acetyl]-N-ethylpiperazine-1-carboxamide
CID 53118821

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The IUPAC name of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide (CID 53118710) is 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide.
What is the SMILES notation for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The canonical SMILES for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide is Cc1noc(C)c1S(=O)(=O)N1CCC(CC(=O)NCCCOC(C)C)CC1.
What is the InChIKey of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
The InChIKey is XBGNXIPUJPFJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O5S/c1-13(2)25-11-5-8-19-17(22)12-16-6-9-21(10-7-16)27(23,24)18-14(3)20-26-15(18)4/h13,16H,5-12H2,1-4H3,(H,19,22).
What are the key properties of 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide?
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide has a molecular weight of 401.53 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-N-(3-propan-2-yloxypropyl)acetamide is sourced from PubChem (CID 53118710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).