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

C21H25FN2O — CID 12050154

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide
SMILESC[C@H](NC(=O)c1ccc(CC2CCNCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c1-15(18-6-8-20(22)9-7-18)24-21(25)19-4-2-16(3-5-19)14-17-10-12-23-13-11-17/h2-9,15,17,23H,10-14H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyUZRZZDAMLISGKS-HNNXBMFYSA-N
MW340.44 g/mol
LogP3.86
Rot. Bonds5

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

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide (PubChem CID 12050154) has the molecular formula C21H25FN2O and a molecular weight of 340.44 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide
PubChem CID12050154
Molecular FormulaC21H25FN2O
Molecular Weight340.44 g/mol
Exact Mass340.20
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide
SMILESC[C@H](NC(=O)c1ccc(CC2CCNCC2)cc1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O/c1-15(18-6-8-20(22)9-7-18)24-21(25)19-4-2-16(3-5-19)14-17-10-12-23-13-11-17/h2-9,15,17,23H,10-14H2,1H3,(H,24,25)/t15-/m0/s1
InChIKeyUZRZZDAMLISGKS-HNNXBMFYSA-N
XLogP3.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(4-methylpiperidin-1-yl)methyl]benzamide
CID 94024334
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866
4-tert-butyl-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 95795806
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzamide
CID 99946484
N-[1-[1-(4-ethylphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 75130560
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[1-(4-fluorophenyl)ethyl]-4-(propanoylamino)benzamide
CID 175162344
N-[1-(4-fluorophenyl)ethyl]-2-piperidin-4-yloxyacetamide
CID 63876747
4-fluoro-N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]benzamide
CID 24714532
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide (CID 12050154) is N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide is C[C@H](NC(=O)c1ccc(CC2CCNCC2)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide?
The InChIKey is UZRZZDAMLISGKS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H25FN2O/c1-15(18-6-8-20(22)9-7-18)24-21(25)19-4-2-16(3-5-19)14-17-10-12-23-13-11-17/h2-9,15,17,23H,10-14H2,1H3,(H,24,25)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-(piperidin-4-ylmethyl)benzamide has a molecular weight of 340.44 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 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-4-ylmethyl)benzamide is sourced from PubChem (CID 12050154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).