N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide

C23H27Cl2FN2O — CID 10320863

IUPACN-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
SMILESCC(c1cc(Cl)cc(Cl)c1)N(C)C(=O)CC1(c2ccc(F)cc2)CCN(C)CC1
InChIInChI=1S/C23H27Cl2FN2O/c1-16(17-12-19(24)14-20(25)13-17)28(3)22(29)15-23(8-10-27(2)11-9-23)18-4-6-21(26)7-5-18/h4-7,12-14,16H,8-11,15H2,1-3H3
InChIKeyKQRTULUMOKTQES-UHFFFAOYSA-N
MW437.39 g/mol
LogP5.71
Rot. Bonds5

About N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide

N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide (PubChem CID 10320863) has the molecular formula C23H27Cl2FN2O and a molecular weight of 437.39 g/mol. Its IUPAC name is N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
PubChem CID10320863
Molecular FormulaC23H27Cl2FN2O
Molecular Weight437.39 g/mol
Exact Mass436.15
IUPAC NameN-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
SMILESCC(c1cc(Cl)cc(Cl)c1)N(C)C(=O)CC1(c2ccc(F)cc2)CCN(C)CC1
InChIInChI=1S/C23H27Cl2FN2O/c1-16(17-12-19(24)14-20(25)13-17)28(3)22(29)15-23(8-10-27(2)11-9-23)18-4-6-21(26)7-5-18/h4-7,12-14,16H,8-11,15H2,1-3H3
InChIKeyKQRTULUMOKTQES-UHFFFAOYSA-N
XLogP5.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.39
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide (CID 10320863) is N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide is CC(c1cc(Cl)cc(Cl)c1)N(C)C(=O)CC1(c2ccc(F)cc2)CCN(C)CC1.
What is the InChIKey of N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
The InChIKey is KQRTULUMOKTQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2FN2O/c1-16(17-12-19(24)14-20(25)13-17)28(3)22(29)15-23(8-10-27(2)11-9-23)18-4-6-21(26)7-5-18/h4-7,12-14,16H,8-11,15H2,1-3H3.
What are the key properties of N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide?
N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide has a molecular weight of 437.39 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 10320863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).