2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C23H27N3O2 — CID 72925497

IUPAC2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3ccncc3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C23H27N3O2/c27-21-17-23(18-26(21)14-4-7-19-5-2-1-3-6-19)10-15-25(16-11-23)22(28)20-8-12-24-13-9-20/h1-3,5-6,8-9,12-13H,4,7,10-11,14-18H2
InChIKeyFXXKWNYPADSAKL-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.17
Rot. Bonds5

About 2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72925497) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72925497
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3ccncc3)CC2)CN1CCCc1ccccc1
InChIInChI=1S/C23H27N3O2/c27-21-17-23(18-26(21)14-4-7-19-5-2-1-3-6-19)10-15-25(16-11-23)22(28)20-8-12-24-13-9-20/h1-3,5-6,8-9,12-13H,4,7,10-11,14-18H2
InChIKeyFXXKWNYPADSAKL-UHFFFAOYSA-N
XLogP3.17
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(pyridine-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895861
8-[(2R)-2-hydroxy-3-methylbutanoyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 97190991
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
8-[(2S,4R)-4-hydroxypyrrolidine-2-carbonyl]-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899673
8-(2-aminopyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72922126
8-(1H-imidazol-2-ylmethyl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72890162
8-(5,6-dimethylpyrimidin-4-yl)-2-(3-phenylpropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72897530
2-(3-phenylpropyl)-8-quinoxalin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 72854437
2-methyl-8-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 176503516
8-(3,5-dimethylbenzoyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131680168
formic acid;8-(pyridine-2-carbonyl)-2-(pyridin-4-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155826391
2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72925497) is 2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3ccncc3)CC2)CN1CCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is FXXKWNYPADSAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-21-17-23(18-26(21)14-4-7-19-5-2-1-3-6-19)10-15-25(16-11-23)22(28)20-8-12-24-13-9-20/h1-3,5-6,8-9,12-13H,4,7,10-11,14-18H2.
What are the key properties of 2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 377.49 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-8-(pyridine-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72925497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).