6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide

C17H25N3O — CID 134076388

IUPAC6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
SMILESCCCCCN1CC2CN(C(=O)Nc3ccccc3)CC21
InChIInChI=1S/C17H25N3O/c1-2-3-7-10-19-11-14-12-20(13-16(14)19)17(21)18-15-8-5-4-6-9-15/h4-6,8-9,14,16H,2-3,7,10-13H2,1H3,(H,18,21)
InChIKeyFMGGNRQGQPWWQM-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.02
Rot. Bonds5

About 6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide

6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide (PubChem CID 134076388) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide.

Molecular Properties

Compound Name6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
PubChem CID134076388
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide
SMILESCCCCCN1CC2CN(C(=O)Nc3ccccc3)CC21
InChIInChI=1S/C17H25N3O/c1-2-3-7-10-19-11-14-12-20(13-16(14)19)17(21)18-15-8-5-4-6-9-15/h4-6,8-9,14,16H,2-3,7,10-13H2,1H3,(H,18,21)
InChIKeyFMGGNRQGQPWWQM-UHFFFAOYSA-N
XLogP3.02
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide?
The IUPAC name of 6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide (CID 134076388) is 6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide.
What is the SMILES notation for 6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide?
The canonical SMILES for 6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide is CCCCCN1CC2CN(C(=O)Nc3ccccc3)CC21.
What is the InChIKey of 6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide?
The InChIKey is FMGGNRQGQPWWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-3-7-10-19-11-14-12-20(13-16(14)19)17(21)18-15-8-5-4-6-9-15/h4-6,8-9,14,16H,2-3,7,10-13H2,1H3,(H,18,21).
What are the key properties of 6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide?
6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide has a molecular weight of 287.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-N-phenyl-3,6-diazabicyclo[3.2.0]heptane-3-carboxamide is sourced from PubChem (CID 134076388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).