2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide

C20H29FN2O3 — CID 56992514

IUPAC2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O3/c1-15(19(25)22(2)3)20(26)10-13-23(14-11-20)12-4-5-18(24)16-6-8-17(21)9-7-16/h6-9,15,26H,4-5,10-14H2,1-3H3
InChIKeyRGBKGQVQRVJTFX-UHFFFAOYSA-N
MW364.46 g/mol
LogP2.34
Rot. Bonds7

About 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide

2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide (PubChem CID 56992514) has the molecular formula C20H29FN2O3 and a molecular weight of 364.46 g/mol. Its IUPAC name is 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide
PubChem CID56992514
Molecular FormulaC20H29FN2O3
Molecular Weight364.46 g/mol
Exact Mass364.22
IUPAC Name2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H29FN2O3/c1-15(19(25)22(2)3)20(26)10-13-23(14-11-20)12-4-5-18(24)16-6-8-17(21)9-7-16/h6-9,15,26H,4-5,10-14H2,1-3H3
InChIKeyRGBKGQVQRVJTFX-UHFFFAOYSA-N
XLogP2.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(3,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155511820
N-[1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 70605385
3-ethyl-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10498808
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
CID 61421543
4-[4-(2,5-dichlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 155545179
[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl] 3,4-dimethylbenzoate;hydrochloride
CID 21438427
1-(4-fluorophenyl)-4-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]butan-1-one
CID 67760392
1-(4-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)butan-1-one;hydrochloride
CID 29733
3-butyl-8-[4-(4-fluorophenyl)-4-oxobutyl]-1-methyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10810380
1-(4-fluorophenyl)-4-[4-hydroxy-4-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]piperidin-1-yl]butan-1-one
CID 169434504

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide (CID 56992514) is 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide is CC(C(=O)N(C)C)C1(O)CCN(CCCC(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide?
The InChIKey is RGBKGQVQRVJTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FN2O3/c1-15(19(25)22(2)3)20(26)10-13-23(14-11-20)12-4-5-18(24)16-6-8-17(21)9-7-16/h6-9,15,26H,4-5,10-14H2,1-3H3.
What are the key properties of 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide?
2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide has a molecular weight of 364.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-fluorophenyl)-4-oxobutyl]-4-hydroxypiperidin-4-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 56992514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).