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

C19H26N4O3 — CID 42766451

IUPAC3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(CN1CN(c2ccccc2)C2(CCNCC2)C1=O)N1CCOCC1
InChIInChI=1S/C19H26N4O3/c24-17(21-10-12-26-13-11-21)14-22-15-23(16-4-2-1-3-5-16)19(18(22)25)6-8-20-9-7-19/h1-5,20H,6-15H2
InChIKeyTWMOIULRRCUJNR-UHFFFAOYSA-N
MW358.44 g/mol
LogP0.27
Rot. Bonds3

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

3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 42766451) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID42766451
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C(CN1CN(c2ccccc2)C2(CCNCC2)C1=O)N1CCOCC1
InChIInChI=1S/C19H26N4O3/c24-17(21-10-12-26-13-11-21)14-22-15-23(16-4-2-1-3-5-16)19(18(22)25)6-8-20-9-7-19/h1-5,20H,6-15H2
InChIKeyTWMOIULRRCUJNR-UHFFFAOYSA-N
XLogP0.27
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-8-(3-phenylpropanoyl)-1,3,8-triazaspiro[4.5]decan-4-one
CID 24717213
bis(3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3-diazaspiro[4.5]decan-4-one);3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 91223642
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
8-acetyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3443375
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
8-(cyclopentanecarbonyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 3903348
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
3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-8-(benzenesulfonyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 5001524
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
8-(2-methoxyacetyl)-3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 42771946

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 42766451) is 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C(CN1CN(c2ccccc2)C2(CCNCC2)C1=O)N1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is TWMOIULRRCUJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-17(21-10-12-26-13-11-21)14-22-15-23(16-4-2-1-3-5-16)19(18(22)25)6-8-20-9-7-19/h1-5,20H,6-15H2.
What are the key properties of 3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 358.44 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 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-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 42766451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).