1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone

C20H27N3O3 — CID 121186032

IUPAC1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2C3CCC2CC(Oc2cccnc2)C3)CC1
InChIInChI=1S/C20H27N3O3/c1-14(24)22-9-6-15(7-10-22)20(25)23-16-4-5-17(23)12-19(11-16)26-18-3-2-8-21-13-18/h2-3,8,13,15-17,19H,4-7,9-12H2,1H3
InChIKeyZDDLHIKKOZMYKV-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.24
Rot. Bonds3

About 1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone

1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone (PubChem CID 121186032) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone
PubChem CID121186032
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2C3CCC2CC(Oc2cccnc2)C3)CC1
InChIInChI=1S/C20H27N3O3/c1-14(24)22-9-6-15(7-10-22)20(25)23-16-4-5-17(23)12-19(11-16)26-18-3-2-8-21-13-18/h2-3,8,13,15-17,19H,4-7,9-12H2,1H3
InChIKeyZDDLHIKKOZMYKV-UHFFFAOYSA-N
XLogP2.24
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone (CID 121186032) is 1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2C3CCC2CC(Oc2cccnc2)C3)CC1.
What is the InChIKey of 1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is ZDDLHIKKOZMYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14(24)22-9-6-15(7-10-22)20(25)23-16-4-5-17(23)12-19(11-16)26-18-3-2-8-21-13-18/h2-3,8,13,15-17,19H,4-7,9-12H2,1H3.
What are the key properties of 1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone?
1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 357.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane-8-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 121186032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).