5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one

C13H21N3O2 — CID 81483173

IUPAC5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC3CCC(C2)N3)CN1
InChIInChI=1S/C13H21N3O2/c17-12-4-1-9(7-14-12)13(18)16-6-5-10-2-3-11(8-16)15-10/h9-11,15H,1-8H2,(H,14,17)
InChIKeyQQEIFVKBKFQYIP-UHFFFAOYSA-N
MW251.33 g/mol
LogP-0.13
Rot. Bonds1

About 5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one

5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one (PubChem CID 81483173) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one.

Molecular Properties

Compound Name5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one
PubChem CID81483173
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC3CCC(C2)N3)CN1
InChIInChI=1S/C13H21N3O2/c17-12-4-1-9(7-14-12)13(18)16-6-5-10-2-3-11(8-16)15-10/h9-11,15H,1-8H2,(H,14,17)
InChIKeyQQEIFVKBKFQYIP-UHFFFAOYSA-N
XLogP-0.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one?
The IUPAC name of 5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one (CID 81483173) is 5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one.
What is the SMILES notation for 5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one?
The canonical SMILES for 5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one is O=C1CCC(C(=O)N2CCC3CCC(C2)N3)CN1.
What is the InChIKey of 5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one?
The InChIKey is QQEIFVKBKFQYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c17-12-4-1-9(7-14-12)13(18)16-6-5-10-2-3-11(8-16)15-10/h9-11,15H,1-8H2,(H,14,17).
What are the key properties of 5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one?
5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one has a molecular weight of 251.33 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)piperidin-2-one is sourced from PubChem (CID 81483173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).