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

C23H29FN2O3 — CID 23723336

IUPAC2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)C2CCCN(Cc3ccccc3F)C2)cc1OC
InChIInChI=1S/C23H29FN2O3/c1-25(23(27)14-17-10-11-21(28-2)22(13-17)29-3)19-8-6-12-26(16-19)15-18-7-4-5-9-20(18)24/h4-5,7,9-11,13,19H,6,8,12,14-16H2,1-3H3
InChIKeyYJTGNDIRZCDWLN-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.51
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide (PubChem CID 23723336) has the molecular formula C23H29FN2O3 and a molecular weight of 400.49 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
PubChem CID23723336
Molecular FormulaC23H29FN2O3
Molecular Weight400.49 g/mol
Exact Mass400.22
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide
SMILESCOc1ccc(CC(=O)N(C)C2CCCN(Cc3ccccc3F)C2)cc1OC
InChIInChI=1S/C23H29FN2O3/c1-25(23(27)14-17-10-11-21(28-2)22(13-17)29-3)19-8-6-12-26(16-19)15-18-7-4-5-9-20(18)24/h4-5,7,9-11,13,19H,6,8,12,14-16H2,1-3H3
InChIKeyYJTGNDIRZCDWLN-UHFFFAOYSA-N
XLogP3.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(2-methoxyphenoxy)-N-methylacetamide
CID 42381909
2-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 45222340
3-(3,4-dimethoxyphenyl)-N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]propanamide
CID 45199254
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methoxy-N-methylpyridine-3-carboxamide
CID 45219753
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24791341
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459876
2-ethoxy-6-[[[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-methylamino]methyl]phenol
CID 92770229
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N,5-dimethylpyrazine-2-carboxamide
CID 42459871
3-(2-ethylimidazol-1-yl)-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylpropanamide
CID 42097680
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methyl-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 45188775
(3R)-1-[(3-fluoro-4-methoxyphenyl)methyl]-N,N-dimethylpiperidin-3-amine
CID 97314808

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide (CID 23723336) is 2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide is COc1ccc(CC(=O)N(C)C2CCCN(Cc3ccccc3F)C2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
The InChIKey is YJTGNDIRZCDWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN2O3/c1-25(23(27)14-17-10-11-21(28-2)22(13-17)29-3)19-8-6-12-26(16-19)15-18-7-4-5-9-20(18)24/h4-5,7,9-11,13,19H,6,8,12,14-16H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide?
2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide has a molecular weight of 400.49 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 23723336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).