2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

C23H25N3O2 — CID 91940770

IUPAC2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccnc3)CC2)CN1CC=Cc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-21-16-23(18-26(21)13-5-8-19-6-2-1-3-7-19)10-14-25(15-11-23)22(28)20-9-4-12-24-17-20/h1-9,12,17H,10-11,13-16,18H2
InChIKeySZDYJHXIFUKQNF-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.25
Rot. Bonds4

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

2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 91940770) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID91940770
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccnc3)CC2)CN1CC=Cc1ccccc1
InChIInChI=1S/C23H25N3O2/c27-21-16-23(18-26(21)13-5-8-19-6-2-1-3-7-19)10-14-25(15-11-23)22(28)20-9-4-12-24-17-20/h1-9,12,17H,10-11,13-16,18H2
InChIKeySZDYJHXIFUKQNF-UHFFFAOYSA-N
XLogP3.25
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(Z)-3-phenylprop-2-enyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 2058853
[4-(3-phenylprop-2-enyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 755491
8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940825
8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72887582
2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 91940108
8-[2-(methylamino)acetyl]-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154898542
1-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]cyclopropane-1-carboxamide
CID 91939946
8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940856
8-(3-fluoro-4-pyridinyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72914510
propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72918682
8-(pyridine-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895861
methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
CID 91940564

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one (CID 91940770) is 2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3cccnc3)CC2)CN1CC=Cc1ccccc1.
What is the InChIKey of 2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is SZDYJHXIFUKQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-21-16-23(18-26(21)13-5-8-19-6-2-1-3-7-19)10-14-25(15-11-23)22(28)20-9-4-12-24-17-20/h1-9,12,17H,10-11,13-16,18H2.
What are the key properties of 2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one?
2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 375.47 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 91940770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).