3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one

C28H34N4O4 — CID 24717213

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(CCc1ccccc1)N1CCC2(CC1)C(=O)N(CC(=O)N1CCOCC1)CN2c1ccccc1
InChIInChI=1S/C28H34N4O4/c33-25(12-11-23-7-3-1-4-8-23)29-15-13-28(14-16-29)27(35)31(21-26(34)30-17-19-36-20-18-30)22-32(28)24-9-5-2-6-10-24/h1-10H,11-22H2
InChIKeyNTTAIKDOIIUITL-UHFFFAOYSA-N
MW490.60 g/mol
LogP2.15
Rot. Bonds6

About 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one

3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 24717213) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID24717213
Molecular FormulaC28H34N4O4
Molecular Weight490.60 g/mol
Exact Mass490.26
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(CCc1ccccc1)N1CCC2(CC1)C(=O)N(CC(=O)N1CCOCC1)CN2c1ccccc1
InChIInChI=1S/C28H34N4O4/c33-25(12-11-23-7-3-1-4-8-23)29-15-13-28(14-16-29)27(35)31(21-26(34)30-17-19-36-20-18-30)22-32(28)24-9-5-2-6-10-24/h1-10H,11-22H2
InChIKeyNTTAIKDOIIUITL-UHFFFAOYSA-N
XLogP2.15
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.60
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 42766451
8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3443375
N-(1-adamantyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 46120797
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
8-butanoyl-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3411128
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-heptanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3619702
3-(2-morpholin-4-yl-2-oxoethyl)-8-naphthalen-2-ylsulfonyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3954041
N-(2-ethoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 4540647
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-8-pentanoyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 4135445
8-(cyclopentanecarbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3903348
2-(8-decanoyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 42770977
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-N,N-dimethyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 3958901

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 24717213) is 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C(CCc1ccccc1)N1CCC2(CC1)C(=O)N(CC(=O)N1CCOCC1)CN2c1ccccc1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is NTTAIKDOIIUITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O4/c33-25(12-11-23-7-3-1-4-8-23)29-15-13-28(14-16-29)27(35)31(21-26(34)30-17-19-36-20-18-30)22-32(28)24-9-5-2-6-10-24/h1-10H,11-22H2.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one?
3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 490.60 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 24717213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).