5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde

C19H26N2O3 — CID 86666091

IUPAC5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde
SMILESCCc1ccc(C2CC(C=O)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C19H26N2O3/c1-2-15-3-5-17(6-4-15)18-11-16(14-22)12-21(13-18)19(23)20-7-9-24-10-8-20/h3-6,14,16,18H,2,7-13H2,1H3
InChIKeyFCHTZSITYOSNEE-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.31
Rot. Bonds3

About 5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde

5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde (PubChem CID 86666091) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde.

Molecular Properties

Compound Name5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde
PubChem CID86666091
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde
SMILESCCc1ccc(C2CC(C=O)CN(C(=O)N3CCOCC3)C2)cc1
InChIInChI=1S/C19H26N2O3/c1-2-15-3-5-17(6-4-15)18-11-16(14-22)12-21(13-18)19(23)20-7-9-24-10-8-20/h3-6,14,16,18H,2,7-13H2,1H3
InChIKeyFCHTZSITYOSNEE-UHFFFAOYSA-N
XLogP2.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[3-(4-ethylphenyl)-5-(5-methyl-1,3-oxazol-2-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002361
[(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 42629041
[3-(4-ethylphenyl)-5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002312
ethyl 2-[5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidin-3-yl]-1,3-thiazole-4-carboxylate
CID 58002411
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002375
[3-[3-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 141241464
[3-[1-(3-chloro-4-fluorophenyl)imidazol-4-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 174621556
[3-(4-ethylphenyl)-5-[1-[3-(trifluoromethoxy)phenyl]imidazol-4-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 174621539
[5-(4-ethylphenyl)-1-(thiomorpholine-4-carbonyl)piperidin-3-yl] hydrogen carbonate
CID 68762056
morpholin-4-yl-[3-(propan-2-ylsulfanylmethyl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 68792101
methyl N-ethenyl-1-(morpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidine-3-carboximidate
CID 143810918
1-(morpholine-4-carbonyl)-5-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 58002402

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde?
The IUPAC name of 5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde (CID 86666091) is 5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde.
What is the SMILES notation for 5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde?
The canonical SMILES for 5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde is CCc1ccc(C2CC(C=O)CN(C(=O)N3CCOCC3)C2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde?
The InChIKey is FCHTZSITYOSNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-15-3-5-17(6-4-15)18-11-16(14-22)12-21(13-18)19(23)20-7-9-24-10-8-20/h3-6,14,16,18H,2,7-13H2,1H3.
What are the key properties of 5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde?
5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde has a molecular weight of 330.43 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-1-(morpholine-4-carbonyl)piperidine-3-carbaldehyde is sourced from PubChem (CID 86666091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).