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

C20H33N3O2 — CID 56784562

IUPACN-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide
SMILESCC(C)(C)c1cnc(CN2CCC(NC(=O)CC3CCCC3)CC2)o1
InChIInChI=1S/C20H33N3O2/c1-20(2,3)17-13-21-19(25-17)14-23-10-8-16(9-11-23)22-18(24)12-15-6-4-5-7-15/h13,15-16H,4-12,14H2,1-3H3,(H,22,24)
InChIKeyAKIFBUDXXKOABQ-UHFFFAOYSA-N
MW347.50 g/mol
LogP3.63
Rot. Bonds5

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

N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide (PubChem CID 56784562) has the molecular formula C20H33N3O2 and a molecular weight of 347.50 g/mol. Its IUPAC name is N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide
PubChem CID56784562
Molecular FormulaC20H33N3O2
Molecular Weight347.50 g/mol
Exact Mass347.26
IUPAC NameN-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide
SMILESCC(C)(C)c1cnc(CN2CCC(NC(=O)CC3CCCC3)CC2)o1
InChIInChI=1S/C20H33N3O2/c1-20(2,3)17-13-21-19(25-17)14-23-10-8-16(9-11-23)22-18(24)12-15-6-4-5-7-15/h13,15-16H,4-12,14H2,1-3H3,(H,22,24)
InChIKeyAKIFBUDXXKOABQ-UHFFFAOYSA-N
XLogP3.63
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide (CID 56784562) is N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide is CC(C)(C)c1cnc(CN2CCC(NC(=O)CC3CCCC3)CC2)o1.
What is the InChIKey of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide?
The InChIKey is AKIFBUDXXKOABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2/c1-20(2,3)17-13-21-19(25-17)14-23-10-8-16(9-11-23)22-18(24)12-15-6-4-5-7-15/h13,15-16H,4-12,14H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide?
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide has a molecular weight of 347.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 56784562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).