N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide

C23H26F2N2O3 — CID 52999173

IUPACN-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C23H26F2N2O3/c1-23(22(29)26-15-17-5-6-18(24)14-20(17)25)9-11-27(12-10-23)21(28)13-16-3-7-19(30-2)8-4-16/h3-8,14H,9-13,15H2,1-2H3,(H,26,29)
InChIKeyUHTVAABHNUMAEV-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.46
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide (PubChem CID 52999173) has the molecular formula C23H26F2N2O3 and a molecular weight of 416.47 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide
PubChem CID52999173
Molecular FormulaC23H26F2N2O3
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C23H26F2N2O3/c1-23(22(29)26-15-17-5-6-18(24)14-20(17)25)9-11-27(12-10-23)21(28)13-16-3-7-19(30-2)8-4-16/h3-8,14H,9-13,15H2,1-2H3,(H,26,29)
InChIKeyUHTVAABHNUMAEV-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-[3-(4-methoxyphenyl)propanoyl]-4-methylpiperidine-4-carboxamide
CID 52999174
N-[(2,4-difluorophenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 110782201
N-[(2,4-difluorophenyl)methyl]-1-(2-fluorobenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999171
N-[(4-fluorophenyl)methyl]-1-(4-methoxybenzoyl)-4-methylpiperidine-4-carboxamide
CID 52999128
1-(4-fluorobenzoyl)-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999112
1-(4-tert-butylbenzoyl)-N-[(2,4-difluorophenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999168
1-N-(4-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 53070839
1-[4-(2,4-difluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 113079882
1-(4-fluorophenyl)sulfonyl-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-4-carboxamide
CID 52999342
1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117070
(3S)-1-[2-(4-fluorophenyl)acetyl]-N-[(3-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 95087413
1-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]-4-methylpiperidine-1,4-dicarboxamide
CID 20933115

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide (CID 52999173) is N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide is COc1ccc(CC(=O)N2CCC(C)(C(=O)NCc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is UHTVAABHNUMAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O3/c1-23(22(29)26-15-17-5-6-18(24)14-20(17)25)9-11-27(12-10-23)21(28)13-16-3-7-19(30-2)8-4-16/h3-8,14H,9-13,15H2,1-2H3,(H,26,29).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 416.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-[2-(4-methoxyphenyl)acetyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 52999173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).