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

C23H33N3O2 — CID 26742955

IUPACN-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide
SMILESCCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N(C)Cc2ccccc2)no1
InChIInChI=1S/C23H33N3O2/c1-3-4-10-22-15-21(25-28-22)13-20-16-24-12-11-19(20)14-23(27)26(2)17-18-8-6-5-7-9-18/h5-9,15,19-20,24H,3-4,10-14,16-17H2,1-2H3/t19-,20-/m0/s1
InChIKeyFPJNSTVBOWJFAB-PMACEKPBSA-N
MW383.54 g/mol
LogP3.83
Rot. Bonds9

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

N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide (PubChem CID 26742955) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide
PubChem CID26742955
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide
SMILESCCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N(C)Cc2ccccc2)no1
InChIInChI=1S/C23H33N3O2/c1-3-4-10-22-15-21(25-28-22)13-20-16-24-12-11-19(20)14-23(27)26(2)17-18-8-6-5-7-9-18/h5-9,15,19-20,24H,3-4,10-14,16-17H2,1-2H3/t19-,20-/m0/s1
InChIKeyFPJNSTVBOWJFAB-PMACEKPBSA-N
XLogP3.83
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N-methyl-2-[(3R,4S)-3-[[5-(phenylsulfanylmethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 26743088
N-benzyl-N-methyl-2-[(3R,4R)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 162916581
2-[(3S,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetic acid
CID 162973087
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-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]-N-(pyridin-3-ylmethyl)acetamide
CID 162796753
N-methyl-2-[(3R,4S)-3-[[5-[(N-methylanilino)methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-prop-2-ynylacetamide
CID 25314002
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-N-cyclopropylacetamide
CID 162796843
N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
CID 162978112
2-[3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-piperidin-1-ylethanone
CID 74506189
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74506073
2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]-1-(4-benzylpiperidin-1-yl)ethanone
CID 163134296

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide (CID 26742955) is N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide is CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N(C)Cc2ccccc2)no1.
What is the InChIKey of N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide?
The InChIKey is FPJNSTVBOWJFAB-PMACEKPBSA-N. The full InChI is InChI=1S/C23H33N3O2/c1-3-4-10-22-15-21(25-28-22)13-20-16-24-12-11-19(20)14-23(27)26(2)17-18-8-6-5-7-9-18/h5-9,15,19-20,24H,3-4,10-14,16-17H2,1-2H3/t19-,20-/m0/s1.
What are the key properties of N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide?
N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide has a molecular weight of 383.54 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(3R,4S)-3-[(5-butyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 26742955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).