azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone

C19H26N2O2 — CID 662599

IUPACazepan-1-yl-(1-benzoylpiperidin-3-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C19H26N2O2/c22-18(16-9-4-3-5-10-16)21-14-8-11-17(15-21)19(23)20-12-6-1-2-7-13-20/h3-5,9-10,17H,1-2,6-8,11-15H2
InChIKeyZPLOZZMTWJSXCV-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.94
Rot. Bonds2

About azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone

azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone (PubChem CID 662599) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(1-benzoylpiperidin-3-yl)methanone
PubChem CID662599
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nameazepan-1-yl-(1-benzoylpiperidin-3-yl)methanone
SMILESO=C(c1ccccc1)N1CCCC(C(=O)N2CCCCCC2)C1
InChIInChI=1S/C19H26N2O2/c22-18(16-9-4-3-5-10-16)21-14-8-11-17(15-21)19(23)20-12-6-1-2-7-13-20/h3-5,9-10,17H,1-2,6-8,11-15H2
InChIKeyZPLOZZMTWJSXCV-UHFFFAOYSA-N
XLogP2.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone?
The IUPAC name of azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone (CID 662599) is azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone.
What is the SMILES notation for azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone?
The canonical SMILES for azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone is O=C(c1ccccc1)N1CCCC(C(=O)N2CCCCCC2)C1.
What is the InChIKey of azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone?
The InChIKey is ZPLOZZMTWJSXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c22-18(16-9-4-3-5-10-16)21-14-8-11-17(15-21)19(23)20-12-6-1-2-7-13-20/h3-5,9-10,17H,1-2,6-8,11-15H2.
What are the key properties of azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone?
azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone has a molecular weight of 314.43 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(1-benzoylpiperidin-3-yl)methanone is sourced from PubChem (CID 662599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).