N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide

C23H29FN2O2 — CID 42858521

IUPACN-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C23H29FN2O2/c1-17-4-5-19(14-18(17)2)15-25-12-10-22(11-13-25)26(23(27)16-28-3)21-8-6-20(24)7-9-21/h4-9,14,22H,10-13,15-16H2,1-3H3
InChIKeyBXUYYIGTFVYSCD-UHFFFAOYSA-N
MW384.50 g/mol
LogP4.09
Rot. Bonds6

About N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide

N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide (PubChem CID 42858521) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
PubChem CID42858521
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC NameN-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C)c(C)c2)CC1
InChIInChI=1S/C23H29FN2O2/c1-17-4-5-19(14-18(17)2)15-25-12-10-22(11-13-25)26(23(27)16-28-3)21-8-6-20(24)7-9-21/h4-9,14,22H,10-13,15-16H2,1-3H3
InChIKeyBXUYYIGTFVYSCD-UHFFFAOYSA-N
XLogP4.09
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
CID 46159013
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-ethylphenyl)propanamide
CID 46054953
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-methoxyphenyl)-3-methylbutanamide
CID 42858323
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
CID 42853361
N-[1-(furan-3-ylmethyl)piperidin-4-yl]-2-methoxy-N-(4-methylphenyl)acetamide
CID 46054906
2-methoxy-N-(4-methylphenyl)-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 46052006
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide
CID 46051987
2-methoxy-N-(4-methylphenyl)-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 42853363
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)acetamide
CID 46159081
N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-2-methoxy-N-(4-methylphenyl)acetamide
CID 46161787
N-(4-fluorophenyl)-N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 46047957
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide?
The IUPAC name of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide (CID 42858521) is N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide.
What is the SMILES notation for N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide?
The canonical SMILES for N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide is COCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2ccc(C)c(C)c2)CC1.
What is the InChIKey of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide?
The InChIKey is BXUYYIGTFVYSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-17-4-5-19(14-18(17)2)15-25-12-10-22(11-13-25)26(23(27)16-28-3)21-8-6-20(24)7-9-21/h4-9,14,22H,10-13,15-16H2,1-3H3.
What are the key properties of N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide?
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide has a molecular weight of 384.50 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide is sourced from PubChem (CID 42858521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).