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

C22H37N3O2 — CID 26743246

IUPACN-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1
InChIInChI=1S/C22H37N3O2/c1-22(2,3)24-21(26)13-17-9-10-23-15-18(17)12-19-14-20(27-25-19)11-16-7-5-4-6-8-16/h14,16-18,23H,4-13,15H2,1-3H3,(H,24,26)/t17-,18-/m0/s1
InChIKeyZCOPNAIHZVMNDU-ROUUACIJSA-N
MW375.56 g/mol
LogP3.87
Rot. Bonds6

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

N-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 26743246) has the molecular formula C22H37N3O2 and a molecular weight of 375.56 g/mol. Its IUPAC name is N-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID26743246
Molecular FormulaC22H37N3O2
Molecular Weight375.56 g/mol
Exact Mass375.29
IUPAC NameN-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(C)(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1
InChIInChI=1S/C22H37N3O2/c1-22(2,3)24-21(26)13-17-9-10-23-15-18(17)12-19-14-20(27-25-19)11-16-7-5-4-6-8-16/h14,16-18,23H,4-13,15H2,1-3H3,(H,24,26)/t17-,18-/m0/s1
InChIKeyZCOPNAIHZVMNDU-ROUUACIJSA-N
XLogP3.87
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 53.87
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-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 26743246) is N-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is CC(C)(C)NC(=O)C[C@@H]1CCNC[C@@H]1Cc1cc(CC2CCCCC2)on1.
What is the InChIKey of N-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is ZCOPNAIHZVMNDU-ROUUACIJSA-N. The full InChI is InChI=1S/C22H37N3O2/c1-22(2,3)24-21(26)13-17-9-10-23-15-18(17)12-19-14-20(27-25-19)11-16-7-5-4-6-8-16/h14,16-18,23H,4-13,15H2,1-3H3,(H,24,26)/t17-,18-/m0/s1.
What are the key properties of N-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?
N-tert-butyl-2-[(3R,4S)-3-[[5-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 375.56 g/mol, XLogP of 3.87, 6 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-(cyclohexylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 26743246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).