N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide

C25H31Cl2FN2O2 — CID 10322935

IUPACN-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide
SMILESCOCCN1CCC(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)(c2ccc(F)cc2C)CC1
InChIInChI=1S/C25H31Cl2FN2O2/c1-18-12-22(28)4-5-23(18)25(6-8-30(9-7-25)10-11-32-3)16-24(31)29(2)17-19-13-20(26)15-21(27)14-19/h4-5,12-15H,6-11,16-17H2,1-3H3
InChIKeyUGPFLVWKAQRSJW-UHFFFAOYSA-N
MW481.44 g/mol
LogP5.47
Rot. Bonds8

About N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide

N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 10322935) has the molecular formula C25H31Cl2FN2O2 and a molecular weight of 481.44 g/mol. Its IUPAC name is N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide
PubChem CID10322935
Molecular FormulaC25H31Cl2FN2O2
Molecular Weight481.44 g/mol
Exact Mass480.17
IUPAC NameN-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide
SMILESCOCCN1CCC(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)(c2ccc(F)cc2C)CC1
InChIInChI=1S/C25H31Cl2FN2O2/c1-18-12-22(28)4-5-23(18)25(6-8-30(9-7-25)10-11-32-3)16-24(31)29(2)17-19-13-20(26)15-21(27)14-19/h4-5,12-15H,6-11,16-17H2,1-3H3
InChIKeyUGPFLVWKAQRSJW-UHFFFAOYSA-N
XLogP5.47
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R,6S)-3-Allyl-5-(3-chloro-4-fluorophenyl)-6-(4-chlorophenyl)-1-isopropyl-3-methylpiperidin-2-one
CID 58573371
N-[1-(3,5-dichlorophenyl)ethyl]-2-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-N-methylacetamide
CID 10320863
1-[(3,5-dichlorophenyl)methyl]-4-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-2H-pyrrol-5-one
CID 11169554
1-[1-(3,5-dichlorophenyl)ethyl]-4-[4-(4-fluorophenyl)piperidin-4-yl]-2H-pyrrol-5-one
CID 11213553
1-[(3,5-dichlorophenyl)methyl]-4-[4-(4-fluorophenyl)piperidin-4-yl]-2H-pyrrol-5-one
CID 11238866
1-[1-(3,5-dichlorophenyl)ethyl]-4-[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]-2H-pyrrol-5-one
CID 11319678
9-(2-Chloro-5-fluorobenzyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70748769
2-(3,5-dichlorophenyl)-2-methyl-N-[(1S)-2-(2-morpholin-4-ylethylamino)-2-oxo-1-phenylethyl]propanamide
CID 73212589
1'-[(3-chloro-4-fluorophenyl)methyl]spiro[2,5-dihydro-1H-2-benzazepine-4,3'-piperidine]-3-one
CID 134788806
Sdccgsbi-0662564.P001
CID 134789561
3-[2-(5-chloro-3,4-dihydro-2(1H)-isoquinolinyl)-2-oxoethyl]-3-(2-fluorophenyl)-1-(2-methoxyethyl)-2,5-pyrrolidinedione
CID 45203141
N-[(3,5-dichlorophenyl)methyl]-3-(4-fluorophenyl)-3-(4-fluoropiperidin-4-yl)-N-methylpropanamide
CID 9980726

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide (CID 10322935) is N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide is COCCN1CCC(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)(c2ccc(F)cc2C)CC1.
What is the InChIKey of N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is UGPFLVWKAQRSJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31Cl2FN2O2/c1-18-12-22(28)4-5-23(18)25(6-8-30(9-7-25)10-11-32-3)16-24(31)29(2)17-19-13-20(26)15-21(27)14-19/h4-5,12-15H,6-11,16-17H2,1-3H3.
What are the key properties of N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide?
N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 481.44 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dichlorophenyl)methyl]-2-[4-(4-fluoro-2-methylphenyl)-1-(2-methoxyethyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 10322935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).