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

C19H33N3O2 — CID 26742960

IUPACN-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NC(C)(C)C)no1
InChIInChI=1S/C19H33N3O2/c1-5-6-7-17-12-16(22-24-17)10-15-13-20-9-8-14(15)11-18(23)21-19(2,3)4/h12,14-15,20H,5-11,13H2,1-4H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyMPKOJFJTCJSSNF-GJZGRUSLSA-N
MW335.49 g/mol
LogP3.09
Rot. Bonds7

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

N-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 26742960) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is N-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
PubChem CID26742960
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NC(C)(C)C)no1
InChIInChI=1S/C19H33N3O2/c1-5-6-7-17-12-16(22-24-17)10-15-13-20-9-8-14(15)11-18(23)21-19(2,3)4/h12,14-15,20H,5-11,13H2,1-4H3,(H,21,23)/t14-,15-/m0/s1
InChIKeyMPKOJFJTCJSSNF-GJZGRUSLSA-N
XLogP3.09
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 26742965
2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 162973087
2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 162796753
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74506073
N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide
CID 26742955
1-(4-benzylpiperazin-1-yl)-2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]ethanone
CID 162796702
2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 26743248
2-[3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 74506282
2-[(3R,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 26743054
N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162978112
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 162796843
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3S,4S)-3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162796751

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (CID 26742960) is N-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)NC(C)(C)C)no1.
What is the InChIKey of N-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is MPKOJFJTCJSSNF-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-6-7-17-12-16(22-24-17)10-15-13-20-9-8-14(15)11-18(23)21-19(2,3)4/h12,14-15,20H,5-11,13H2,1-4H3,(H,21,23)/t14-,15-/m0/s1.
What are the key properties of N-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
N-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 335.49 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 26742960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).