8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

C19H25F2N3O2 — CID 16739656

IUPAC8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCN(c1cc(F)cnc1F)CC2
InChIInChI=1S/C19H25F2N3O2/c20-13-11-16(17(21)22-12-13)23-8-5-19(6-9-23)7-10-24(18(19)26)14-1-3-15(25)4-2-14/h11-12,14-15,25H,1-10H2
InChIKeyDQVRREGVFVYZNE-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.48
Rot. Bonds2

About 8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one

8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 16739656) has the molecular formula C19H25F2N3O2 and a molecular weight of 365.42 g/mol. Its IUPAC name is 8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID16739656
Molecular FormulaC19H25F2N3O2
Molecular Weight365.42 g/mol
Exact Mass365.19
IUPAC Name8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(C2CCC(O)CC2)CCC12CCN(c1cc(F)cnc1F)CC2
InChIInChI=1S/C19H25F2N3O2/c20-13-11-16(17(21)22-12-13)23-8-5-19(6-9-23)7-10-24(18(19)26)14-1-3-15(25)4-2-14/h11-12,14-15,25H,1-10H2
InChIKeyDQVRREGVFVYZNE-UHFFFAOYSA-N
XLogP2.48
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one (CID 16739656) is 8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1N(C2CCC(O)CC2)CCC12CCN(c1cc(F)cnc1F)CC2.
What is the InChIKey of 8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is DQVRREGVFVYZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O2/c20-13-11-16(17(21)22-12-13)23-8-5-19(6-9-23)7-10-24(18(19)26)14-1-3-15(25)4-2-14/h11-12,14-15,25H,1-10H2.
What are the key properties of 8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one?
8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 365.42 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-difluoro-3-pyridinyl)-2-(4-hydroxycyclohexyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 16739656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).