N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide

C23H29FN2O4 — CID 46159013

IUPACN-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C23H29FN2O4/c1-28-16-23(27)26(19-6-4-18(24)5-7-19)20-8-10-25(11-9-20)15-17-12-21(29-2)14-22(13-17)30-3/h4-7,12-14,20H,8-11,15-16H2,1-3H3
InChIKeyICNIABCHMLEMCI-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.49
Rot. Bonds8

About N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide

N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide (PubChem CID 46159013) has the molecular formula C23H29FN2O4 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
PubChem CID46159013
Molecular FormulaC23H29FN2O4
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC NameN-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
SMILESCOCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C23H29FN2O4/c1-28-16-23(27)26(19-6-4-18(24)5-7-19)20-8-10-25(11-9-20)15-17-12-21(29-2)14-22(13-17)30-3/h4-7,12-14,20H,8-11,15-16H2,1-3H3
InChIKeyICNIABCHMLEMCI-UHFFFAOYSA-N
XLogP3.49
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide
CID 42858521
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(4-methylphenyl)acetamide
CID 42853361
N-(4-fluorophenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-2-methylpropanamide
CID 42853264
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide
CID 46051987
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(3-fluoro-4-methylphenyl)-2-methylpropanamide
CID 42853448
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)acetamide
CID 46159081
N-[1-(furan-3-ylmethyl)piperidin-4-yl]-2-methoxy-N-(4-methylphenyl)acetamide
CID 46054906
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide
CID 46054472
4-chloro-N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46048435
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbutanamide
CID 46054341
N-(4-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methylbutanamide
CID 42853287
2-methoxy-N-(4-methylphenyl)-N-[1-[(4-nitrophenyl)methyl]piperidin-4-yl]acetamide
CID 46052006

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide?
The IUPAC name of N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide (CID 46159013) is N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide.
What is the SMILES notation for N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide?
The canonical SMILES for N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide is COCC(=O)N(c1ccc(F)cc1)C1CCN(Cc2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide?
The InChIKey is ICNIABCHMLEMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O4/c1-28-16-23(27)26(19-6-4-18(24)5-7-19)20-8-10-25(11-9-20)15-17-12-21(29-2)14-22(13-17)30-3/h4-7,12-14,20H,8-11,15-16H2,1-3H3.
What are the key properties of N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide?
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide has a molecular weight of 416.49 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methoxyacetamide is sourced from PubChem (CID 46159013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).