(3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide

C16H21F2N3O3 — CID 166428273

IUPAC(3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](C(=O)NC(C)(C)c2cc(C(F)F)on2)C1
InChIInChI=1S/C16H21F2N3O3/c1-4-13(22)21-7-5-6-10(9-21)15(23)19-16(2,3)12-8-11(14(17)18)24-20-12/h4,8,10,14H,1,5-7,9H2,2-3H3,(H,19,23)/t10-/m1/s1
InChIKeyHIINXMVLRNUODW-SNVBAGLBSA-N
MW341.36 g/mol
LogP2.39
Rot. Bonds5

About (3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide

(3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide (PubChem CID 166428273) has the molecular formula C16H21F2N3O3 and a molecular weight of 341.36 g/mol. Its IUPAC name is (3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide
PubChem CID166428273
Molecular FormulaC16H21F2N3O3
Molecular Weight341.36 g/mol
Exact Mass341.16
IUPAC Name(3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide
SMILESC=CC(=O)N1CCC[C@@H](C(=O)NC(C)(C)c2cc(C(F)F)on2)C1
InChIInChI=1S/C16H21F2N3O3/c1-4-13(22)21-7-5-6-10(9-21)15(23)19-16(2,3)12-8-11(14(17)18)24-20-12/h4,8,10,14H,1,5-7,9H2,2-3H3,(H,19,23)/t10-/m1/s1
InChIKeyHIINXMVLRNUODW-SNVBAGLBSA-N
XLogP2.39
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1-prop-2-enoylpiperidine-3-carboxamide
CID 138719004
(3R)-N-tert-butyl-5-[2-methyl-2-[[(3S)-1-prop-2-enoylpiperidine-3-carbonyl]amino]propyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 138719006
N-(4-fluoro-3-methylsulfonylphenyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 166413075
N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411399
N-propan-2-yl-1-(5-propan-2-yl-1,2-oxazole-3-carbonyl)piperidine-3-carboxamide
CID 91953841
N-[4-chloro-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411324
(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
N-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-fluorophenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411288
1-[(3S)-3-(tert-butylamino)azepan-1-yl]prop-2-en-1-one
CID 146367286
N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 167986693
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166412978
(3S)-N-(1-benzofuran-5-yl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889920

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide (CID 166428273) is (3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide is C=CC(=O)N1CCC[C@@H](C(=O)NC(C)(C)c2cc(C(F)F)on2)C1.
What is the InChIKey of (3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide?
The InChIKey is HIINXMVLRNUODW-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H21F2N3O3/c1-4-13(22)21-7-5-6-10(9-21)15(23)19-16(2,3)12-8-11(14(17)18)24-20-12/h4,8,10,14H,1,5-7,9H2,2-3H3,(H,19,23)/t10-/m1/s1.
What are the key properties of (3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide?
(3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide has a molecular weight of 341.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[5-(difluoromethyl)-1,2-oxazol-3-yl]propan-2-yl]-1-prop-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 166428273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).