oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone

C16H23N3O2 — CID 122144453

IUPACoxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1N1CCCCC1)N1CCCCCO1
InChIInChI=1S/C16H23N3O2/c20-16(19-12-5-2-6-13-21-19)14-8-7-9-17-15(14)18-10-3-1-4-11-18/h7-9H,1-6,10-13H2
InChIKeyGNVLTNQUFDZOGR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.63
Rot. Bonds2

About oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone

oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone (PubChem CID 122144453) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Nameoxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
PubChem CID122144453
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Nameoxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1N1CCCCC1)N1CCCCCO1
InChIInChI=1S/C16H23N3O2/c20-16(19-12-5-2-6-13-21-19)14-8-7-9-17-15(14)18-10-3-1-4-11-18/h7-9H,1-6,10-13H2
InChIKeyGNVLTNQUFDZOGR-UHFFFAOYSA-N
XLogP2.63
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone?
The IUPAC name of oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone (CID 122144453) is oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone?
The canonical SMILES for oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone is O=C(c1cccnc1N1CCCCC1)N1CCCCCO1.
What is the InChIKey of oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone?
The InChIKey is GNVLTNQUFDZOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-16(19-12-5-2-6-13-21-19)14-8-7-9-17-15(14)18-10-3-1-4-11-18/h7-9H,1-6,10-13H2.
What are the key properties of oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone?
oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone has a molecular weight of 289.38 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxazepan-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 122144453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).