2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride

C21H25ClF2N2O2 — CID 18778024

IUPAC2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H24F2N2O2.ClH/c22-21(23)27-19-8-6-18(7-9-19)24-20(26)15-25-12-10-17(11-13-25)14-16-4-2-1-3-5-16;/h1-9,17,21H,10-15H2,(H,24,26);1H
InChIKeyRLAMOKMLIFUORX-UHFFFAOYSA-N
MW410.89 g/mol
LogP4.60
Rot. Bonds7

About 2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride

2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride (PubChem CID 18778024) has the molecular formula C21H25ClF2N2O2 and a molecular weight of 410.89 g/mol. Its IUPAC name is 2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
PubChem CID18778024
Molecular FormulaC21H25ClF2N2O2
Molecular Weight410.89 g/mol
Exact Mass410.16
IUPAC Name2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C21H24F2N2O2.ClH/c22-21(23)27-19-8-6-18(7-9-19)24-20(26)15-25-12-10-17(11-13-25)14-16-4-2-1-3-5-16;/h1-9,17,21H,10-15H2,(H,24,26);1H
InChIKeyRLAMOKMLIFUORX-UHFFFAOYSA-N
XLogP4.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.89
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-(4-ethoxyphenyl)acetamide
CID 22198150
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
ethyl 4-[[2-(4-benzylpiperidin-1-yl)acetyl]amino]benzoate
CID 22198151
2-(4-aminopiperidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide;hydrochloride
CID 119907132
2-[4-[2-[4-(difluoromethoxy)phenyl]acetyl]piperazin-1-yl]-N-phenylacetamide
CID 34435186
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110877849
N-[4-(difluoromethoxy)phenyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 8932791
N-(4-aminophenyl)-2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetamide;dihydrochloride
CID 69100448
2-(4-benzylpiperidin-1-yl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 16554623
2-(4-benzylpiperidin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 2573036
N-[4-(difluoromethoxy)phenyl]-2-[4-(2-ethoxyphenyl)piperazin-1-yl]acetamide
CID 3908014

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride (CID 18778024) is 2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride is Cl.O=C(CN1CCC(Cc2ccccc2)CC1)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride?
The InChIKey is RLAMOKMLIFUORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2.ClH/c22-21(23)27-19-8-6-18(7-9-19)24-20(26)15-25-12-10-17(11-13-25)14-16-4-2-1-3-5-16;/h1-9,17,21H,10-15H2,(H,24,26);1H.
What are the key properties of 2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride?
2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride has a molecular weight of 410.89 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperidin-1-yl)-N-[4-(difluoromethoxy)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 18778024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).