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

C23H28F2N2O4 — CID 46051987

IUPACN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide
SMILESCOCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C23H28F2N2O4/c1-29-15-23(28)27(19-6-7-21(30-2)22(13-19)31-3)18-8-10-26(11-9-18)14-16-4-5-17(24)12-20(16)25/h4-7,12-13,18H,8-11,14-15H2,1-3H3
InChIKeyVLMQGBDNPRQBRN-UHFFFAOYSA-N
MW434.48 g/mol
LogP3.63
Rot. Bonds8

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

N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide (PubChem CID 46051987) has the molecular formula C23H28F2N2O4 and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide.

Molecular Properties

Compound NameN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide
PubChem CID46051987
Molecular FormulaC23H28F2N2O4
Molecular Weight434.48 g/mol
Exact Mass434.20
IUPAC NameN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide
SMILESCOCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C23H28F2N2O4/c1-29-15-23(28)27(19-6-7-21(30-2)22(13-19)31-3)18-8-10-26(11-9-18)14-16-4-5-17(24)12-20(16)25/h4-7,12-13,18H,8-11,14-15H2,1-3H3
InChIKeyVLMQGBDNPRQBRN-UHFFFAOYSA-N
XLogP3.63
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-fluorophenyl)-2-methoxyacetamide
CID 42858521
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)butanamide
CID 46054472
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-4-fluorobenzamide
CID 42858157
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-3-methylbutanamide
CID 46054341
N-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]furan-2-carboxamide
CID 42853300
N-[1-[(2,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)-2-methylpropanamide
CID 46054319
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558
N-(3,4-dimethoxyphenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]butanamide
CID 42853332
N-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-2-methoxy-N-(4-methylphenyl)acetamide
CID 46161787
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzamide
CID 46052014
N-(4-fluorophenyl)-4-methoxy-N-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 42858501

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide?
The IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide (CID 46051987) is N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide.
What is the SMILES notation for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide?
The canonical SMILES for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide is COCC(=O)N(c1ccc(OC)c(OC)c1)C1CCN(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide?
The InChIKey is VLMQGBDNPRQBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O4/c1-29-15-23(28)27(19-6-7-21(30-2)22(13-19)31-3)18-8-10-26(11-9-18)14-16-4-5-17(24)12-20(16)25/h4-7,12-13,18H,8-11,14-15H2,1-3H3.
What are the key properties of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide?
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide has a molecular weight of 434.48 g/mol, XLogP of 3.63, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-N-(3,4-dimethoxyphenyl)-2-methoxyacetamide is sourced from PubChem (CID 46051987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).