1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide

C21H28N2O3 — CID 133265633

IUPAC1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3CCO[C@H]3[C@H]2Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2O3/c1-14(24)23-10-7-16(8-11-23)21(25)22-19-17-9-12-26-20(17)18(19)13-15-5-3-2-4-6-15/h2-6,16-20H,7-13H2,1H3,(H,22,25)/t17-,18+,19-,20-/m1/s1
InChIKeyDJODFFBHZXORKO-IYWMVGAKSA-N
MW356.47 g/mol
LogP2.01
Rot. Bonds4

About 1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide

1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide (PubChem CID 133265633) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide
PubChem CID133265633
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3CCO[C@H]3[C@H]2Cc2ccccc2)CC1
InChIInChI=1S/C21H28N2O3/c1-14(24)23-10-7-16(8-11-23)21(25)22-19-17-9-12-26-20(17)18(19)13-15-5-3-2-4-6-15/h2-6,16-20H,7-13H2,1H3,(H,22,25)/t17-,18+,19-,20-/m1/s1
InChIKeyDJODFFBHZXORKO-IYWMVGAKSA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide 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-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-6-oxo-1H-pyridine-2-carboxamide
CID 164640186
N-[(1S,5S,6R,7S)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]heptan-6-yl]-1-(pyridine-4-carbonyl)piperidine-4-carboxamide
CID 91761677
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 164629570
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-1-methylimidazo[2,1-e]pyrazole-7-carboxamide
CID 91786961
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-2,4-dimethyl-6-oxo-1H-pyridine-3-carboxamide
CID 133267787
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-7-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 133267150
N-[(1R,5S,6R,7R)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]-5-chloro-6-oxo-1H-pyridine-3-carboxamide
CID 91775976
1-acetyl-N-[(4-benzylmorpholin-2-yl)methyl]piperidine-4-carboxamide
CID 43022671
1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide (CID 133265633) is 1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N[C@@H]2[C@H]3CCO[C@H]3[C@H]2Cc2ccccc2)CC1.
What is the InChIKey of 1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide?
The InChIKey is DJODFFBHZXORKO-IYWMVGAKSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14(24)23-10-7-16(8-11-23)21(25)22-19-17-9-12-26-20(17)18(19)13-15-5-3-2-4-6-15/h2-6,16-20H,7-13H2,1H3,(H,22,25)/t17-,18+,19-,20-/m1/s1.
What are the key properties of 1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide?
1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(1S,5R,6S,7S)-7-benzyl-2-oxabicyclo[3.2.0]heptan-6-yl]piperidine-4-carboxamide is sourced from PubChem (CID 133265633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).