1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one

C20H30N2O2 — CID 110649365

IUPAC1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H30N2O2/c1-2-18-5-3-4-12-22(18)20(23)11-8-17-6-9-19(10-7-17)21-13-15-24-16-14-21/h6-7,9-10,18H,2-5,8,11-16H2,1H3
InChIKeyZKGAPSJSRBFMFW-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.25
Rot. Bonds5

About 1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one

1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one (PubChem CID 110649365) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
PubChem CID110649365
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one
SMILESCCC1CCCCN1C(=O)CCc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C20H30N2O2/c1-2-18-5-3-4-12-22(18)20(23)11-8-17-6-9-19(10-7-17)21-13-15-24-16-14-21/h6-7,9-10,18H,2-5,8,11-16H2,1H3
InChIKeyZKGAPSJSRBFMFW-UHFFFAOYSA-N
XLogP3.25
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]benzoic acid
CID 82071367
1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone
CID 109006467
1-[(2R)-2-ethylpiperidin-1-yl]-3-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-oxadiazol-2-yl]propan-1-one
CID 42461294
1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94337272
1-(2-ethylpiperidin-1-yl)-3-[4-(4-methoxyphenyl)piperazin-1-yl]propane-1,3-dione
CID 108952190
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-propan-2-ylphenyl)propan-1-one
CID 119469653
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113177011
1-[2-(aminomethyl)piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 119467317
(2-ethylpyrrolidin-1-yl)-(4-pyrrolidin-1-ylphenyl)methanone
CID 110619094
(2-ethylpiperidin-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111331478
1-(2-ethylpiperidin-1-yl)-3-(3-phenylpropylamino)propan-1-one
CID 109030915
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one (CID 110649365) is 1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one is CCC1CCCCN1C(=O)CCc1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one?
The InChIKey is ZKGAPSJSRBFMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-2-18-5-3-4-12-22(18)20(23)11-8-17-6-9-19(10-7-17)21-13-15-24-16-14-21/h6-7,9-10,18H,2-5,8,11-16H2,1H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one?
1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one has a molecular weight of 330.47 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-3-(4-morpholin-4-ylphenyl)propan-1-one is sourced from PubChem (CID 110649365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).