1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide

C12H19N3O4S — CID 110721980

IUPAC1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCc2cocn2)CC1
InChIInChI=1S/C12H19N3O4S/c1-20(17,18)15-6-3-10(4-7-15)12(16)13-5-2-11-8-19-9-14-11/h8-10H,2-7H2,1H3,(H,13,16)
InChIKeyJFGRURYIXOOMSL-UHFFFAOYSA-N
MW301.37 g/mol
LogP0.00
Rot. Bonds5

About 1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide

1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 110721980) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide
PubChem CID110721980
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide
SMILESCS(=O)(=O)N1CCC(C(=O)NCCc2cocn2)CC1
InChIInChI=1S/C12H19N3O4S/c1-20(17,18)15-6-3-10(4-7-15)12(16)13-5-2-11-8-19-9-14-11/h8-10H,2-7H2,1H3,(H,13,16)
InChIKeyJFGRURYIXOOMSL-UHFFFAOYSA-N
XLogP0.00
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-N-(3-pyrazol-1-ylpropyl)piperidine-4-carboxamide
CID 19332404
1-methylsulfonyl-N-[2-[(6-pyrrol-1-ylpyrimidin-4-yl)amino]ethyl]piperidine-4-carboxamide
CID 71799996
N-[3-(4-methylpiperidin-1-yl)propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 53278198
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119856
N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 94119857
N-[6-(5-ethyltriazol-1-yl)hexyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 170709380
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 119106274
ethane;1-methylsulfonyl-N-[6-(propan-2-ylamino)hexyl]piperidine-4-carboxamide
CID 170709349
N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115699662
N-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 6941835
1-methylsulfonyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-4-carboxamide
CID 50946769
1-ethylsulfonyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]piperidine-4-carboxamide
CID 64547042

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide (CID 110721980) is 1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide is CS(=O)(=O)N1CCC(C(=O)NCCc2cocn2)CC1.
What is the InChIKey of 1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is JFGRURYIXOOMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-20(17,18)15-6-3-10(4-7-15)12(16)13-5-2-11-8-19-9-14-11/h8-10H,2-7H2,1H3,(H,13,16).
What are the key properties of 1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide?
1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[2-(1,3-oxazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 110721980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).