1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

C21H22F2N2O3 — CID 30430699

IUPAC1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H22F2N2O3/c1-13-3-6-19(28-2)18(11-13)24-20(26)14-7-9-25(10-8-14)21(27)16-5-4-15(22)12-17(16)23/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,26)
InChIKeySQYRTTRBDITZBX-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.77
Rot. Bonds4

About 1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide

1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide (PubChem CID 30430699) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is 1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
PubChem CID30430699
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C21H22F2N2O3/c1-13-3-6-19(28-2)18(11-13)24-20(26)14-7-9-25(10-8-14)21(27)16-5-4-15(22)12-17(16)23/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,26)
InChIKeySQYRTTRBDITZBX-UHFFFAOYSA-N
XLogP3.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
N-(2-methoxy-5-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007595
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
tert-butyl 4-[(2-methoxy-5-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 29206094
N-(5-fluoro-2-methoxyphenyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110776584
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 56517553
N-(2-methoxy-5-methylphenyl)-1-(3-methylbutanoyl)piperidine-4-carboxamide
CID 113007591
N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30992722
N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 51208693

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide (CID 30430699) is 1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide is COc1ccc(C)cc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
The InChIKey is SQYRTTRBDITZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-13-3-6-19(28-2)18(11-13)24-20(26)14-7-9-25(10-8-14)21(27)16-5-4-15(22)12-17(16)23/h3-6,11-12,14H,7-10H2,1-2H3,(H,24,26).
What are the key properties of 1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide?
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide has a molecular weight of 388.41 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 30430699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).