3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C26H33FN4O3 — CID 15979790

IUPAC3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)CN1c1ccc(F)cn1
InChIInChI=1S/C26H33FN4O3/c27-21-5-10-24(28-19-21)31-20-26(34-25(31)32)11-16-30(17-12-26)22-6-8-23(9-7-22)33-18-4-15-29-13-2-1-3-14-29/h5-10,19H,1-4,11-18,20H2
InChIKeyQWHXPONPXVVATI-UHFFFAOYSA-N
MW468.57 g/mol
LogP4.47
Rot. Bonds7

About 3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 15979790) has the molecular formula C26H33FN4O3 and a molecular weight of 468.57 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID15979790
Molecular FormulaC26H33FN4O3
Molecular Weight468.57 g/mol
Exact Mass468.25
IUPAC Name3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)CN1c1ccc(F)cn1
InChIInChI=1S/C26H33FN4O3/c27-21-5-10-24(28-19-21)31-20-26(34-25(31)32)11-16-30(17-12-26)22-6-8-23(9-7-22)33-18-4-15-29-13-2-1-3-14-29/h5-10,19H,1-4,11-18,20H2
InChIKeyQWHXPONPXVVATI-UHFFFAOYSA-N
XLogP4.47
TPSA58.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 15979790) is 3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCN(c3ccc(OCCCN4CCCCC4)cc3)CC2)CN1c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is QWHXPONPXVVATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN4O3/c27-21-5-10-24(28-19-21)31-20-26(34-25(31)32)11-16-30(17-12-26)22-6-8-23(9-7-22)33-18-4-15-29-13-2-1-3-14-29/h5-10,19H,1-4,11-18,20H2.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 468.57 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 15979790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).