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

C22H24F2N2O3 — CID 24595324

IUPAC1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H24F2N2O3/c1-25(14-16-5-3-4-6-20(16)29-2)21(27)15-9-11-26(12-10-15)22(28)18-8-7-17(23)13-19(18)24/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyXGURFZBQXNIRIL-UHFFFAOYSA-N
MW402.44 g/mol
LogP3.48
Rot. Bonds5

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

1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 24595324) has the molecular formula C22H24F2N2O3 and a molecular weight of 402.44 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID24595324
Molecular FormulaC22H24F2N2O3
Molecular Weight402.44 g/mol
Exact Mass402.18
IUPAC Name1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccccc1CN(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C22H24F2N2O3/c1-25(14-16-5-3-4-6-20(16)29-2)21(27)15-9-11-26(12-10-15)22(28)18-8-7-17(23)13-19(18)24/h3-8,13,15H,9-12,14H2,1-2H3
InChIKeyXGURFZBQXNIRIL-UHFFFAOYSA-N
XLogP3.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.44
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzoyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 38010862
1-(2,4-difluorobenzoyl)-N-[(2,3-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46586888
N-cyclohexyl-1-(2,4-difluorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 78803343
(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 43029960
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 78855442
4-(aminomethyl)-N-[(2-methoxyphenyl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79511106
1-(2,4-difluorobenzoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 31839249
1-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134062497
1-(2,4-difluorobenzoyl)-N-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 86926948
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077
1-(2,4-difluorobenzoyl)-N-(2,2-dimethylpropyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 56531234

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 24595324) is 1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is COc1ccccc1CN(C)C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is XGURFZBQXNIRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N2O3/c1-25(14-16-5-3-4-6-20(16)29-2)21(27)15-9-11-26(12-10-15)22(28)18-8-7-17(23)13-19(18)24/h3-8,13,15H,9-12,14H2,1-2H3.
What are the key properties of 1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 402.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 24595324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).