2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide

C21H35N3O2 — CID 40777334

IUPAC2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide
SMILESCC(C)(C)c1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1
InChIInChI=1S/C21H35N3O2/c1-21(2,3)19-13-18(24-26-19)11-16-14-22-10-9-15(16)12-20(25)23-17-7-5-4-6-8-17/h13,15-17,22H,4-12,14H2,1-3H3,(H,23,25)/t15-,16-/m0/s1
InChIKeyNTTXENGPXCCYCF-HOTGVXAUSA-N
MW361.53 g/mol
LogP3.58
Rot. Bonds5

About 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide

2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide (PubChem CID 40777334) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide
PubChem CID40777334
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC Name2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide
SMILESCC(C)(C)c1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1
InChIInChI=1S/C21H35N3O2/c1-21(2,3)19-13-18(24-26-19)11-16-14-22-10-9-15(16)12-20(25)23-17-7-5-4-6-8-17/h13,15-17,22H,4-12,14H2,1-3H3,(H,23,25)/t15-,16-/m0/s1
InChIKeyNTTXENGPXCCYCF-HOTGVXAUSA-N
XLogP3.58
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide?
The IUPAC name of 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide (CID 40777334) is 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide is CC(C)(C)c1cc(C[C@H]2CNCC[C@H]2CC(=O)NC2CCCCC2)no1.
What is the InChIKey of 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide?
The InChIKey is NTTXENGPXCCYCF-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-21(2,3)19-13-18(24-26-19)11-16-14-22-10-9-15(16)12-20(25)23-17-7-5-4-6-8-17/h13,15-17,22H,4-12,14H2,1-3H3,(H,23,25)/t15-,16-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide?
2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide has a molecular weight of 361.53 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclohexylacetamide is sourced from PubChem (CID 40777334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).