N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide

C20H22ClFN2O — CID 17173959

IUPACN-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22ClFN2O/c21-18-7-4-8-19(22)17(18)13-20(25)23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,23,25)
InChIKeyBRFZZQOUMFCGBY-UHFFFAOYSA-N
MW360.86 g/mol
LogP3.80
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide

N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 17173959) has the molecular formula C20H22ClFN2O and a molecular weight of 360.86 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID17173959
Molecular FormulaC20H22ClFN2O
Molecular Weight360.86 g/mol
Exact Mass360.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H22ClFN2O/c21-18-7-4-8-19(22)17(18)13-20(25)23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,23,25)
InChIKeyBRFZZQOUMFCGBY-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.86
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ssr-504734
CID 9954540
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
N-methyl-SSR504734
CID 11704260
2,6-Dichloro-N-[1-(1-methylethyl)-4-piperidinyl]benzamide
CID 25236799
(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
N-(N-benzylpiperidin-4-yl)-2-fluorobenzamide
CID 825648
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
2-Chloro-N-(1-phenylethyl)benzamide
CID 2869527
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
CID 14783875
(4R,5R)-5-amino-4-(2-chlorophenyl)-1-(cyclohexylmethyl)piperidin-2-one
CID 16204462

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide (CID 17173959) is N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide is O=C(Cc1c(F)cccc1Cl)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is BRFZZQOUMFCGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O/c21-18-7-4-8-19(22)17(18)13-20(25)23-16-9-11-24(12-10-16)14-15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,23,25).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide?
N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 360.86 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 17173959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).