2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid

C17H22FNO3 — CID 175556461

IUPAC2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid
SMILESCCCCC(=O)O.O=C1CCNC(=Cc2ccc(F)cc2)C1
InChIInChI=1S/C12H12FNO.C5H10O2/c13-10-3-1-9(2-4-10)7-11-8-12(15)5-6-14-11;1-2-3-4-5(6)7/h1-4,7,14H,5-6,8H2;2-4H2,1H3,(H,6,7)
InChIKeyPYIXNFDHGIFLOU-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.38
Rot. Bonds4

About 2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid

2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid (PubChem CID 175556461) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid
PubChem CID175556461
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Name2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid
SMILESCCCCC(=O)O.O=C1CCNC(=Cc2ccc(F)cc2)C1
InChIInChI=1S/C12H12FNO.C5H10O2/c13-10-3-1-9(2-4-10)7-11-8-12(15)5-6-14-11;1-2-3-4-5(6)7/h1-4,7,14H,5-6,8H2;2-4H2,1H3,(H,6,7)
InChIKeyPYIXNFDHGIFLOU-UHFFFAOYSA-N
XLogP3.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-4-fluorobenzene;pentanoic acid
CID 175420474
7-(4-fluorophenyl)hept-6-enoic acid
CID 54475519
(E,4E)-4-[(4-fluorophenyl)methylidene]-2-methylnon-2-enoic acid
CID 175798929
cyclobutanone;undecanoic acid
CID 53445946
(E,4E)-4-[(4-fluorophenyl)methylidene]non-2-enoic acid
CID 135262726
(2E)-2-[(4-fluorophenyl)methylidene]heptanal
CID 135262924
pentanoic acid;stannane
CID 173249748
CID 159436476
CID 159436476
lanthanum;pentanoic acid
CID 88604988
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
(9Z,12Z)-octadeca-9,12-dienoic acid;phosphane;pyrrolidin-2-one
CID 174930070

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid (CID 175556461) is 2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid is CCCCC(=O)O.O=C1CCNC(=Cc2ccc(F)cc2)C1.
What is the InChIKey of 2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid?
The InChIKey is PYIXNFDHGIFLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO.C5H10O2/c13-10-3-1-9(2-4-10)7-11-8-12(15)5-6-14-11;1-2-3-4-5(6)7/h1-4,7,14H,5-6,8H2;2-4H2,1H3,(H,6,7).
What are the key properties of 2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid?
2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid has a molecular weight of 307.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylidene]piperidin-4-one;pentanoic acid is sourced from PubChem (CID 175556461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).