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

C19H26N4O3 — CID 175126322

IUPAC2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde
SMILESO=CC(C1CNCCO1)N1CN(c2ccccc2)C2(CCNCC2)C1=O
InChIInChI=1S/C19H26N4O3/c24-13-16(17-12-21-10-11-26-17)22-14-23(15-4-2-1-3-5-15)19(18(22)25)6-8-20-9-7-19/h1-5,13,16-17,20-21H,6-12,14H2
InChIKeySPVIVWOBORDJTK-UHFFFAOYSA-N
MW358.44 g/mol
LogP-0.03
Rot. Bonds4

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

2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde (PubChem CID 175126322) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde
PubChem CID175126322
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde
SMILESO=CC(C1CNCCO1)N1CN(c2ccccc2)C2(CCNCC2)C1=O
InChIInChI=1S/C19H26N4O3/c24-13-16(17-12-21-10-11-26-17)22-14-23(15-4-2-1-3-5-15)19(18(22)25)6-8-20-9-7-19/h1-5,13,16-17,20-21H,6-12,14H2
InChIKeySPVIVWOBORDJTK-UHFFFAOYSA-N
XLogP-0.03
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decan-4-one
CID 21493483
2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)butanoic acid
CID 118417587
3-but-2-enyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 54506307
tert-butyl (2S)-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-2-phenylacetate
CID 58046611
3-(2-morpholin-4-yl-2-oxoethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 42766451
(2-methyl-4-phenylbutan-2-yl) 2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)-2-phenylacetate
CID 66652180
(R)-morpholin-2-yl(phenyl)methanol
CID 69108289
3-[(1-methylimidazol-2-yl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 134540408
1-[morpholin-2-yl(phenyl)methyl]pyrrole-2,5-dione
CID 174820044
3-[(3-acetylphenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 58046666
N-[4-[(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)methyl]phenyl]methanesulfonamide;hydrochloride
CID 131731301
1-phenyl-3-[[3-(1-phenylmethoxyethenyl)phenyl]methyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 126663041

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde?
The IUPAC name of 2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde (CID 175126322) is 2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde.
What is the SMILES notation for 2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde?
The canonical SMILES for 2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde is O=CC(C1CNCCO1)N1CN(c2ccccc2)C2(CCNCC2)C1=O.
What is the InChIKey of 2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde?
The InChIKey is SPVIVWOBORDJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c24-13-16(17-12-21-10-11-26-17)22-14-23(15-4-2-1-3-5-15)19(18(22)25)6-8-20-9-7-19/h1-5,13,16-17,20-21H,6-12,14H2.
What are the key properties of 2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde?
2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde has a molecular weight of 358.44 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-yl-2-(4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl)acetaldehyde is sourced from PubChem (CID 175126322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).