2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one

C19H21N3O — CID 175023011

IUPAC2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)C(c2ccncc2)CC12CCNCC2
InChIInChI=1S/C19H21N3O/c23-18-19(8-12-21-13-9-19)14-17(15-6-10-20-11-7-15)22(18)16-4-2-1-3-5-16/h1-7,10-11,17,21H,8-9,12-14H2
InChIKeyBVAVJILDPZKQEG-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.93
Rot. Bonds2

About 2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one

2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 175023011) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID175023011
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2ccccc2)C(c2ccncc2)CC12CCNCC2
InChIInChI=1S/C19H21N3O/c23-18-19(8-12-21-13-9-19)14-17(15-6-10-20-11-7-15)22(18)16-4-2-1-3-5-16/h1-7,10-11,17,21H,8-9,12-14H2
InChIKeyBVAVJILDPZKQEG-UHFFFAOYSA-N
XLogP2.93
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one (CID 175023011) is 2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one is O=C1N(c2ccccc2)C(c2ccncc2)CC12CCNCC2.
What is the InChIKey of 2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is BVAVJILDPZKQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c23-18-19(8-12-21-13-9-19)14-17(15-6-10-20-11-7-15)22(18)16-4-2-1-3-5-16/h1-7,10-11,17,21H,8-9,12-14H2.
What are the key properties of 2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one?
2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 307.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 175023011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).