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

C19H33N3O2 — CID 25313431

IUPACN-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C19H33N3O2/c1-18(2,3)16-11-15(22-24-16)9-14-12-20-8-7-13(14)10-17(23)21-19(4,5)6/h11,13-14,20H,7-10,12H2,1-6H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyYUZIFVMGTZMEDV-KBPBESRZSA-N
MW335.49 g/mol
LogP3.05
Rot. Bonds4

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

N-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (PubChem CID 25313431) 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-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
PubChem CID25313431
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC NameN-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(C(C)(C)C)on1
InChIInChI=1S/C19H33N3O2/c1-18(2,3)16-11-15(22-24-16)9-14-12-20-8-7-13(14)10-17(23)21-19(4,5)6/h11,13-14,20H,7-10,12H2,1-6H3,(H,21,23)/t13-,14-/m0/s1
InChIKeyYUZIFVMGTZMEDV-KBPBESRZSA-N
XLogP3.05
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide (CID 25313431) is N-tert-butyl-2-[(3R,4S)-3-[(5-tert-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-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is CC(C)(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(C(C)(C)C)on1.
What is the InChIKey of N-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
The InChIKey is YUZIFVMGTZMEDV-KBPBESRZSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-18(2,3)16-11-15(22-24-16)9-14-12-20-8-7-13(14)10-17(23)21-19(4,5)6/h11,13-14,20H,7-10,12H2,1-6H3,(H,21,23)/t13-,14-/m0/s1.
What are the key properties of N-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide?
N-tert-butyl-2-[(3R,4S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide has a molecular weight of 335.49 g/mol, XLogP of 3.05, 4 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-tert-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 25313431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).