5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one

C21H25FN2O3 — CID 15985454

IUPAC5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one
SMILESO=C(CCCN1CCC(O)(Cc2ccc(F)cc2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C21H25FN2O3/c22-18-6-3-16(4-7-18)14-21(27)9-12-24(13-10-21)11-1-2-19(25)17-5-8-20(26)23-15-17/h3-8,15,27H,1-2,9-14H2,(H,23,26)
InChIKeyDXNIGYOFFUYGMD-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.55
Rot. Bonds7

About 5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one

5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one (PubChem CID 15985454) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one
PubChem CID15985454
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one
SMILESO=C(CCCN1CCC(O)(Cc2ccc(F)cc2)CC1)c1ccc(=O)[nH]c1
InChIInChI=1S/C21H25FN2O3/c22-18-6-3-16(4-7-18)14-21(27)9-12-24(13-10-21)11-1-2-19(25)17-5-8-20(26)23-15-17/h3-8,15,27H,1-2,9-14H2,(H,23,26)
InChIKeyDXNIGYOFFUYGMD-UHFFFAOYSA-N
XLogP2.55
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]ethylsulfanyl]-1H-pyridin-2-one
CID 15985704
4-[4-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155511820
cyclohexanone;1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 21127187
1-(4-fluorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 13277351
4-[4-(4-bromophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 2448
4-[4-[(4-chlorophenyl)methyl]-4-hydroxypiperidin-1-yl]-1-(4-fluoro-2-nitrophenyl)butan-1-one
CID 70620740
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
CID 29733
3-ethyl-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10498808
2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide
CID 56992514
4-[4-(2,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155545179
4-anilino-1-[4-(4-fluorophenyl)-4-oxobutyl]-N-formylpiperidine-4-carboxamide
CID 171114944
N-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 70605385

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one (CID 15985454) is 5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one is O=C(CCCN1CCC(O)(Cc2ccc(F)cc2)CC1)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one?
The InChIKey is DXNIGYOFFUYGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c22-18-6-3-16(4-7-18)14-21(27)9-12-24(13-10-21)11-1-2-19(25)17-5-8-20(26)23-15-17/h3-8,15,27H,1-2,9-14H2,(H,23,26).
What are the key properties of 5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one?
5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one has a molecular weight of 372.44 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]butanoyl]-1H-pyridin-2-one is sourced from PubChem (CID 15985454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).