2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide

C23H30FN3O — CID 91064573

IUPAC2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide
SMILESCCC(C(=O)NC1CCN(NC(C)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O/c1-3-22(19-9-11-20(24)12-10-19)23(28)25-21-13-15-27(16-14-21)26-17(2)18-7-5-4-6-8-18/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,25,28)
InChIKeyWWECNBQHWNTPTM-UHFFFAOYSA-N
MW383.51 g/mol
LogP4.17
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide

2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide (PubChem CID 91064573) has the molecular formula C23H30FN3O and a molecular weight of 383.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide
PubChem CID91064573
Molecular FormulaC23H30FN3O
Molecular Weight383.51 g/mol
Exact Mass383.24
IUPAC Name2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide
SMILESCCC(C(=O)NC1CCN(NC(C)c2ccccc2)CC1)c1ccc(F)cc1
InChIInChI=1S/C23H30FN3O/c1-3-22(19-9-11-20(24)12-10-19)23(28)25-21-13-15-27(16-14-21)26-17(2)18-7-5-4-6-8-18/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,25,28)
InChIKeyWWECNBQHWNTPTM-UHFFFAOYSA-N
XLogP4.17
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
N-[1-[3-(4-fluorophenyl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91044067
N-[1-(3-methylbutanoyl)piperidin-4-yl]-2-phenylbutanamide
CID 51093701
N-cycloheptyl-2-phenylbutanamide
CID 2890971
2-phenyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119389366
2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]-N-[(1R)-1-phenylethyl]benzamide
CID 93291002
2-(4-fluorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]butanamide
CID 110353349
N-(4-aminocyclohexyl)-2-phenylbutanamide
CID 43653055
N-[1-[3,3-bis(4-fluorophenyl)propyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91401261
N-[1-[3-(4-fluorophenyl)-3-hydroxy-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91030065
N-[1-[3-(4-fluorophenyl)-3-hydroxypropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)butanamide
CID 91334226
3-[2-(4-fluorophenyl)butanoylamino]-2-phenylpropanoic acid
CID 120528828

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide (CID 91064573) is 2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide is CCC(C(=O)NC1CCN(NC(C)c2ccccc2)CC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide?
The InChIKey is WWECNBQHWNTPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FN3O/c1-3-22(19-9-11-20(24)12-10-19)23(28)25-21-13-15-27(16-14-21)26-17(2)18-7-5-4-6-8-18/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,25,28).
What are the key properties of 2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide?
2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide has a molecular weight of 383.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[1-(1-phenylethylamino)piperidin-4-yl]butanamide is sourced from PubChem (CID 91064573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).