4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride

C19H27ClFN3O4 — CID 154919485

IUPAC4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride
SMILESCl.NCCC(=O)N1CCC(N2CC(COc3ccc(F)cc3)OCC2=O)CC1
InChIInChI=1S/C19H26FN3O4.ClH/c20-14-1-3-16(4-2-14)26-12-17-11-23(19(25)13-27-17)15-6-9-22(10-7-15)18(24)5-8-21;/h1-4,15,17H,5-13,21H2;1H
InChIKeyCJCPOQJATZQXBC-UHFFFAOYSA-N
MW415.89 g/mol
LogP1.19
Rot. Bonds6

About 4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride

4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride (PubChem CID 154919485) has the molecular formula C19H27ClFN3O4 and a molecular weight of 415.89 g/mol. Its IUPAC name is 4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride.

Molecular Properties

Compound Name4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride
PubChem CID154919485
Molecular FormulaC19H27ClFN3O4
Molecular Weight415.89 g/mol
Exact Mass415.17
IUPAC Name4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride
SMILESCl.NCCC(=O)N1CCC(N2CC(COc3ccc(F)cc3)OCC2=O)CC1
InChIInChI=1S/C19H26FN3O4.ClH/c20-14-1-3-16(4-2-14)26-12-17-11-23(19(25)13-27-17)15-6-9-22(10-7-15)18(24)5-8-21;/h1-4,15,17H,5-13,21H2;1H
InChIKeyCJCPOQJATZQXBC-UHFFFAOYSA-N
XLogP1.19
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.89
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride with MolForge

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Related Compounds

6-[(4-fluorophenoxy)methyl]-4-[1-(4-pyrazol-1-ylbutanoyl)piperidin-4-yl]morpholin-3-one
CID 146045576
(6R)-4-(1-ethylpiperidin-4-yl)-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125161379
6-[(4-fluorophenoxy)methyl]-4-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]morpholin-3-one
CID 154571138
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]morpholin-3-one
CID 125170900
2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methylacetamide
CID 125156221
6-[(4-fluorophenoxy)methyl]-4-[1-(3-methylimidazole-4-carbonyl)piperidin-4-yl]morpholin-3-one
CID 146039602
(6S)-4-[1-(cyclobutylmethyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one
CID 125178160
2-[4-[(2R)-2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 125177176
(6R)-6-[(4-fluorophenoxy)methyl]-4-[1-[2-(1,2,4-triazol-4-yl)ethyl]piperidin-4-yl]morpholin-3-one
CID 125159849
formic acid;methyl 4-[4-[2-[(4-fluorophenoxy)methyl]-5-oxomorpholin-4-yl]piperidin-1-yl]butanoate
CID 154922503
(6S)-6-[(4-fluorophenoxy)methyl]-4-[1-(2-pyrazol-1-ylethyl)piperidin-4-yl]morpholin-3-one
CID 125175144
6-[(4-fluorophenoxy)methyl]-4-[1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]piperidin-4-yl]morpholin-3-one
CID 154571931

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride?
The IUPAC name of 4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride (CID 154919485) is 4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride.
What is the SMILES notation for 4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride?
The canonical SMILES for 4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride is Cl.NCCC(=O)N1CCC(N2CC(COc3ccc(F)cc3)OCC2=O)CC1.
What is the InChIKey of 4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride?
The InChIKey is CJCPOQJATZQXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O4.ClH/c20-14-1-3-16(4-2-14)26-12-17-11-23(19(25)13-27-17)15-6-9-22(10-7-15)18(24)5-8-21;/h1-4,15,17H,5-13,21H2;1H.
What are the key properties of 4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride?
4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride has a molecular weight of 415.89 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-aminopropanoyl)piperidin-4-yl]-6-[(4-fluorophenoxy)methyl]morpholin-3-one;hydrochloride is sourced from PubChem (CID 154919485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).