1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide

C25H32N2O4 — CID 110232610

IUPAC1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(Cc2ccc(-c3ccc(OC)cc3)cc2)(C(=O)N(C)C)C1
InChIInChI=1S/C25H32N2O4/c1-26(2)24(29)25(14-5-15-27(18-25)23(28)17-30-3)16-19-6-8-20(9-7-19)21-10-12-22(31-4)13-11-21/h6-13H,5,14-18H2,1-4H3
InChIKeyKMVRKUVVFDFCLE-UHFFFAOYSA-N
MW424.54 g/mol
LogP3.25
Rot. Bonds7

About 1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide

1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 110232610) has the molecular formula C25H32N2O4 and a molecular weight of 424.54 g/mol. Its IUPAC name is 1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID110232610
Molecular FormulaC25H32N2O4
Molecular Weight424.54 g/mol
Exact Mass424.24
IUPAC Name1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(Cc2ccc(-c3ccc(OC)cc3)cc2)(C(=O)N(C)C)C1
InChIInChI=1S/C25H32N2O4/c1-26(2)24(29)25(14-5-15-27(18-25)23(28)17-30-3)16-19-6-8-20(9-7-19)21-10-12-22(31-4)13-11-21/h6-13H,5,14-18H2,1-4H3
InChIKeyKMVRKUVVFDFCLE-UHFFFAOYSA-N
XLogP3.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.54
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
1-(2-methoxyacetyl)-3-[[4-(2-methoxyphenyl)phenyl]methyl]-N,N-dimethylpyrrolidine-3-carboxamide
CID 110231473
(3R)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-propanoylpiperidine-3-carboxamide
CID 92585101
3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110243976
(3R)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585095
(3S)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N-methyl-1-propanoylpiperidine-3-carboxamide
CID 92585094
(3S)-1-(2-methoxyacetyl)-3-[(4-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 92579626
(3R)-1-(3,3-dimethylbutanoyl)-N,N-dimethyl-3-[(4-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92552144
(3S)-N,N-dimethyl-1-[2-(4-methyltriazol-1-yl)acetyl]-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92562921
1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 110232463
(3R)-1-(cyclopropanecarbonyl)-N,N-dimethyl-3-[(4-phenylphenyl)methyl]piperidine-3-carboxamide
CID 92604751
N,N-dimethyl-3-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-3-carboxamide
CID 110232469

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide (CID 110232610) is 1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide is COCC(=O)N1CCCC(Cc2ccc(-c3ccc(OC)cc3)cc2)(C(=O)N(C)C)C1.
What is the InChIKey of 1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is KMVRKUVVFDFCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O4/c1-26(2)24(29)25(14-5-15-27(18-25)23(28)17-30-3)16-19-6-8-20(9-7-19)21-10-12-22(31-4)13-11-21/h6-13H,5,14-18H2,1-4H3.
What are the key properties of 1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide?
1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 110232610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).