(3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

C23H33N3O2 — CID 95855471

IUPAC(3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(CC(C)(C)C)C1
InChIInChI=1S/C23H33N3O2/c1-5-24-21(27)23(12-9-13-26(17-23)16-22(2,3)4)15-19-14-20(25-28-19)18-10-7-6-8-11-18/h6-8,10-11,14H,5,9,12-13,15-17H2,1-4H3,(H,24,27)/t23-/m1/s1
InChIKeyOUPMLVKPFXMLHH-HSZRJFAPSA-N
MW383.54 g/mol
LogP4.15
Rot. Bonds6

About (3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide

(3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 95855471) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is (3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID95855471
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC Name(3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(CC(C)(C)C)C1
InChIInChI=1S/C23H33N3O2/c1-5-24-21(27)23(12-9-13-26(17-23)16-22(2,3)4)15-19-14-20(25-28-19)18-10-7-6-8-11-18/h6-8,10-11,14H,5,9,12-13,15-17H2,1-4H3,(H,24,27)/t23-/m1/s1
InChIKeyOUPMLVKPFXMLHH-HSZRJFAPSA-N
XLogP4.15
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-N-ethyl-1-ethylsulfonyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 51595538
(3S)-1-(cyclopropanecarbonyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855480
(3R)-N-ethyl-1-(3-methylbutanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855475
N-ethyl-1-methyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974043
(3R)-N-ethyl-1-(3-methoxybenzoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 95855453
(3R)-1-cyclopentyl-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855427
1-(cyclobutanecarbonyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 46974085
(2R)-1-benzoyl-N-ethyl-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 129360774
(3S)-1-(2-cyclopentylacetyl)-N-ethyl-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]piperidine-3-carboxamide
CID 95855546
1-cyclopentyl-N-methyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-3-carboxamide
CID 110129865
N,N-dimethyl-1-(2-methylpropanoyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 110236576
ethyl (3S)-3-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxylate
CID 95853716

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide (CID 95855471) is (3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is CCNC(=O)[C@@]1(Cc2cc(-c3ccccc3)no2)CCCN(CC(C)(C)C)C1.
What is the InChIKey of (3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is OUPMLVKPFXMLHH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-5-24-21(27)23(12-9-13-26(17-23)16-22(2,3)4)15-19-14-20(25-28-19)18-10-7-6-8-11-18/h6-8,10-11,14H,5,9,12-13,15-17H2,1-4H3,(H,24,27)/t23-/m1/s1.
What are the key properties of (3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide?
(3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,2-dimethylpropyl)-N-ethyl-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 95855471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).