4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide

C16H22N2O2 — CID 53230350

IUPAC4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide
SMILESNC(=O)c1ccc(OCCCN2C[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C16H22N2O2/c17-16(19)12-5-7-14(8-6-12)20-10-2-9-18-11-13-3-1-4-15(13)18/h5-8,13,15H,1-4,9-11H2,(H2,17,19)/t13-,15-/m1/s1
InChIKeyHZZPIXPHXCONKT-UKRRQHHQSA-N
MW274.36 g/mol
LogP2.04
Rot. Bonds6

About 4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide

4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide (PubChem CID 53230350) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide.

Molecular Properties

Compound Name4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide
PubChem CID53230350
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide
SMILESNC(=O)c1ccc(OCCCN2C[C@H]3CCC[C@H]32)cc1
InChIInChI=1S/C16H22N2O2/c17-16(19)12-5-7-14(8-6-12)20-10-2-9-18-11-13-3-1-4-15(13)18/h5-8,13,15H,1-4,9-11H2,(H2,17,19)/t13-,15-/m1/s1
InChIKeyHZZPIXPHXCONKT-UKRRQHHQSA-N
XLogP2.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzoic acid
CID 67236243
4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzaldehyde
CID 173055529
4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzamide
CID 67234428
N-[4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]phenyl]-2-methoxyacetamide
CID 53236223
1-[3-(4-carbamoylphenoxy)propyl]piperidine-2-carboxylic acid
CID 122562043
4-(3-pyrrolidin-1-ylpropoxy)benzamide
CID 91431700
4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 22137456
4-[3-[(1S,5R)-2-azabicyclo[3.1.0]hexan-2-yl]propoxy]benzoic acid
CID 67234518
4-[3-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]propoxy]benzenecarboximidamide
CID 151361349
4-[3-(4-cyclopentyl-1,4-diazepan-1-yl)propoxy]benzamide
CID 134700418
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835
4-[3-(2-azabicyclo[3.1.0]hexan-2-yl)propoxy]benzoyl chloride
CID 89123797

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide?
The IUPAC name of 4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide (CID 53230350) is 4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide.
What is the SMILES notation for 4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide?
The canonical SMILES for 4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide is NC(=O)c1ccc(OCCCN2C[C@H]3CCC[C@H]32)cc1.
What is the InChIKey of 4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide?
The InChIKey is HZZPIXPHXCONKT-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H22N2O2/c17-16(19)12-5-7-14(8-6-12)20-10-2-9-18-11-13-3-1-4-15(13)18/h5-8,13,15H,1-4,9-11H2,(H2,17,19)/t13-,15-/m1/s1.
What are the key properties of 4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide?
4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide has a molecular weight of 274.36 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1R,5R)-6-azabicyclo[3.2.0]heptan-6-yl]propoxy]benzamide is sourced from PubChem (CID 53230350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).