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

C24H29FN2O3 — CID 110243976

IUPAC3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(Cc2cccc(-c3cccc(F)c3)c2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H29FN2O3/c1-26(2)23(29)24(11-6-12-27(17-24)22(28)16-30-3)15-18-7-4-8-19(13-18)20-9-5-10-21(25)14-20/h4-5,7-10,13-14H,6,11-12,15-17H2,1-3H3
InChIKeyDQDDQCHHPBBHGN-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.38
Rot. Bonds6

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

3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 110243976) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide
PubChem CID110243976
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC Name3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide
SMILESCOCC(=O)N1CCCC(Cc2cccc(-c3cccc(F)c3)c2)(C(=O)N(C)C)C1
InChIInChI=1S/C24H29FN2O3/c1-26(2)23(29)24(11-6-12-27(17-24)22(28)16-30-3)15-18-7-4-8-19(13-18)20-9-5-10-21(25)14-20/h4-5,7-10,13-14H,6,11-12,15-17H2,1-3H3
InChIKeyDQDDQCHHPBBHGN-UHFFFAOYSA-N
XLogP3.38
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(2-methoxyacetyl)-N,N-dimethyl-3-[(3-phenylphenyl)methyl]piperidine-3-carboxamide
CID 95851011
1-(3-methoxypropanoyl)-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232260
1-(2-methoxyacetyl)-3-[[4-(4-methoxyphenyl)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 110232610
1-(2-methoxyacetyl)-3-[(3-phenylphenyl)methyl]-N-propan-2-ylpiperidine-3-carboxamide
CID 110243852
1-(2-acetamidoacetyl)-N,N-dimethyl-3-[[3-(3-methylphenyl)phenyl]methyl]piperidine-3-carboxamide
CID 110243960
(3S)-N,N-dimethyl-1-(2-phenylacetyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92604924
(3R)-N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 92585147
N,N-dimethyl-1-propanoyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232254
(3S)-N,N-dimethyl-1-(3-methylbutanoyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 92578906
1-butanoyl-N,N-dimethyl-3-[(3-thiophen-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232249
N-cyclopropyl-3-[[3-(3-fluorophenyl)phenyl]methyl]-1-propanoylpiperidine-3-carboxamide
CID 110243986
(3R)-N-tert-butyl-3-[[3-(4-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)pyrrolidine-3-carboxamide
CID 92552252

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide (CID 110243976) is 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide is COCC(=O)N1CCCC(Cc2cccc(-c3cccc(F)c3)c2)(C(=O)N(C)C)C1.
What is the InChIKey of 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is DQDDQCHHPBBHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-26(2)23(29)24(11-6-12-27(17-24)22(28)16-30-3)15-18-7-4-8-19(13-18)20-9-5-10-21(25)14-20/h4-5,7-10,13-14H,6,11-12,15-17H2,1-3H3.
What are the key properties of 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide?
3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-fluorophenyl)phenyl]methyl]-1-(2-methoxyacetyl)-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 110243976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).