N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide

C20H23FN2O — CID 28636051

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
SMILESC[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O/c1-15(16-5-9-18(21)10-6-16)22-20(24)17-7-11-19(12-8-17)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyGBTYZOQYEWENKD-HNNXBMFYSA-N
MW326.42 g/mol
LogP4.31
Rot. Bonds4

About N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide (PubChem CID 28636051) has the molecular formula C20H23FN2O and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
PubChem CID28636051
Molecular FormulaC20H23FN2O
Molecular Weight326.42 g/mol
Exact Mass326.18
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide
SMILESC[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H23FN2O/c1-15(16-5-9-18(21)10-6-16)22-20(24)17-7-11-19(12-8-17)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3,(H,22,24)/t15-/m0/s1
InChIKeyGBTYZOQYEWENKD-HNNXBMFYSA-N
XLogP4.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-4-piperidin-1-ylbenzamide
CID 43910482
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185906
4-[(5-oxo-4H-1,2,4-triazin-3-yl)amino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]benzamide
CID 136671359
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-(3-piperidin-1-ylpyrazin-2-yl)oxybenzamide
CID 95185907
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
N-(1-phenylethyl)-4-(4-propan-2-ylpiperazin-1-yl)benzamide
CID 48732576
4-[2-oxo-2-[1-(4-piperidin-1-ylphenyl)ethylamino]ethyl]benzoic acid
CID 10570930
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-piperidin-1-ylbenzamide
CID 91796198
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 97267629
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylbenzamide
CID 92674988

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide (CID 28636051) is N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide is C[C@H](NC(=O)c1ccc(N2CCCCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide?
The InChIKey is GBTYZOQYEWENKD-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23FN2O/c1-15(16-5-9-18(21)10-6-16)22-20(24)17-7-11-19(12-8-17)23-13-3-2-4-14-23/h5-12,15H,2-4,13-14H2,1H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide has a molecular weight of 326.42 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 28636051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).