[1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate

C19H26FN3O4 — CID 24857731

IUPAC[1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate
SMILESCC(=O)Nc1ccc(N2CCCC(OC(=O)N3CCC(O)CC3)C2)c(F)c1
InChIInChI=1S/C19H26FN3O4/c1-13(24)21-14-4-5-18(17(20)11-14)23-8-2-3-16(12-23)27-19(26)22-9-6-15(25)7-10-22/h4-5,11,15-16,25H,2-3,6-10,12H2,1H3,(H,21,24)
InChIKeyIEYDWHXRJKDKBA-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.35
Rot. Bonds3

About [1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate

[1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate (PubChem CID 24857731) has the molecular formula C19H26FN3O4 and a molecular weight of 379.43 g/mol. Its IUPAC name is [1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate.

Molecular Properties

Compound Name[1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate
PubChem CID24857731
Molecular FormulaC19H26FN3O4
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC Name[1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate
SMILESCC(=O)Nc1ccc(N2CCCC(OC(=O)N3CCC(O)CC3)C2)c(F)c1
InChIInChI=1S/C19H26FN3O4/c1-13(24)21-14-4-5-18(17(20)11-14)23-8-2-3-16(12-23)27-19(26)22-9-6-15(25)7-10-22/h4-5,11,15-16,25H,2-3,6-10,12H2,1H3,(H,21,24)
InChIKeyIEYDWHXRJKDKBA-UHFFFAOYSA-N
XLogP2.35
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[1-[4-(cyclopentanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] piperidine-1-carboxylate
CID 24856417
[1-[4-(cyclopropanecarbonylamino)-2-fluorophenyl]piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 24857734
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
[1-(2,4-difluorophenyl)piperidin-3-yl] 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 24856506
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-oxobutanamide
CID 54867208
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)cyclopropanecarboxamide
CID 47311897
N-(3-fluoro-4-piperazin-1-ylphenyl)acetamide
CID 20785639
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443142
methyl N-(3-fluoro-4-piperidin-1-ylphenyl)carbamate
CID 90707355
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
(3R)-N-(4-acetyl-3-fluorophenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 146596384
tert-butyl 4-[4-[[(2R)-1-aminopyrrolidine-2-carbonyl]amino]-2-fluorophenyl]piperazine-1-carboxylate
CID 70930820

Frequently Asked Questions

What is the IUPAC name of [1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate?
The IUPAC name of [1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate (CID 24857731) is [1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate.
What is the SMILES notation for [1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate?
The canonical SMILES for [1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate is CC(=O)Nc1ccc(N2CCCC(OC(=O)N3CCC(O)CC3)C2)c(F)c1.
What is the InChIKey of [1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate?
The InChIKey is IEYDWHXRJKDKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O4/c1-13(24)21-14-4-5-18(17(20)11-14)23-8-2-3-16(12-23)27-19(26)22-9-6-15(25)7-10-22/h4-5,11,15-16,25H,2-3,6-10,12H2,1H3,(H,21,24).
What are the key properties of [1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate?
[1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate has a molecular weight of 379.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-acetamido-2-fluorophenyl)piperidin-3-yl] 4-hydroxypiperidine-1-carboxylate is sourced from PubChem (CID 24857731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).