8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one

C22H28N2O2 — CID 72887582

IUPAC8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)C3CCC3)CC2)CN1C/C=C/c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-20-16-22(11-14-23(15-12-22)21(26)19-9-4-10-19)17-24(20)13-5-8-18-6-2-1-3-7-18/h1-3,5-8,19H,4,9-17H2/b8-5+
InChIKeyXHKIXGBYKSFTDJ-VMPITWQZSA-N
MW352.48 g/mol
LogP3.34
Rot. Bonds4

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

8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72887582) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72887582
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)C3CCC3)CC2)CN1C/C=C/c1ccccc1
InChIInChI=1S/C22H28N2O2/c25-20-16-22(11-14-23(15-12-22)21(26)19-9-4-10-19)17-24(20)13-5-8-18-6-2-1-3-7-18/h1-3,5-8,19H,4,9-17H2/b8-5+
InChIKeyXHKIXGBYKSFTDJ-VMPITWQZSA-N
XLogP3.34
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
propan-2-yl 3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 72918682
2-(3-phenylprop-2-enyl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940770
8-[(2S,3R)-2-amino-3-hydroxybutanoyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940856
8-(5-methyl-1,3-oxazole-4-carbonyl)-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940825
methyl 2-[[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decane-8-carbonyl]amino]acetate
CID 91940564
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990
ethyl 2-[3-oxo-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-8-yl]acetate
CID 91940042
N-ethyl-N-methyl-2-[3-oxo-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-8-yl]acetamide
CID 72911472
8-[2-(2-hydroxyethoxy)ethyl]-2-(3-phenylprop-2-enyl)-2,8-diazaspiro[4.5]decan-3-one
CID 91940760
2-(3-phenylprop-2-enyl)-8-pyrazin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 91940108

Frequently Asked Questions

What is the IUPAC name of 8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72887582) is 8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)C3CCC3)CC2)CN1C/C=C/c1ccccc1.
What is the InChIKey of 8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is XHKIXGBYKSFTDJ-VMPITWQZSA-N. The full InChI is InChI=1S/C22H28N2O2/c25-20-16-22(11-14-23(15-12-22)21(26)19-9-4-10-19)17-24(20)13-5-8-18-6-2-1-3-7-18/h1-3,5-8,19H,4,9-17H2/b8-5+.
What are the key properties of 8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one?
8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 352.48 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclobutanecarbonyl)-2-[(E)-3-phenylprop-2-enyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72887582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).