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

C22H25Cl2FN2O — CID 91011117

IUPACN-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide
SMILESCC(C(=O)NCc1cc(Cl)cc(Cl)c1)C1(c2ccc(F)cc2)CCN(C)CC1
InChIInChI=1S/C22H25Cl2FN2O/c1-15(21(28)26-14-16-11-18(23)13-19(24)12-16)22(7-9-27(2)10-8-22)17-3-5-20(25)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,26,28)
InChIKeyKWXSGFSWYGRFDX-UHFFFAOYSA-N
MW423.36 g/mol
LogP5.05
Rot. Bonds5

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

N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide (PubChem CID 91011117) has the molecular formula C22H25Cl2FN2O and a molecular weight of 423.36 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide
PubChem CID91011117
Molecular FormulaC22H25Cl2FN2O
Molecular Weight423.36 g/mol
Exact Mass422.13
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide
SMILESCC(C(=O)NCc1cc(Cl)cc(Cl)c1)C1(c2ccc(F)cc2)CCN(C)CC1
InChIInChI=1S/C22H25Cl2FN2O/c1-15(21(28)26-14-16-11-18(23)13-19(24)12-16)22(7-9-27(2)10-8-22)17-3-5-20(25)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,26,28)
InChIKeyKWXSGFSWYGRFDX-UHFFFAOYSA-N
XLogP5.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.36
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide (CID 91011117) is N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide is CC(C(=O)NCc1cc(Cl)cc(Cl)c1)C1(c2ccc(F)cc2)CCN(C)CC1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide?
The InChIKey is KWXSGFSWYGRFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2FN2O/c1-15(21(28)26-14-16-11-18(23)13-19(24)12-16)22(7-9-27(2)10-8-22)17-3-5-20(25)6-4-17/h3-6,11-13,15H,7-10,14H2,1-2H3,(H,26,28).
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide?
N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide has a molecular weight of 423.36 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]propanamide is sourced from PubChem (CID 91011117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).