N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

C21H21F2N3O3 — CID 56517553

IUPACN-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)ccc1C(N)=O
InChIInChI=1S/C21H21F2N3O3/c1-12-10-15(3-5-16(12)19(24)27)25-20(28)13-6-8-26(9-7-13)21(29)17-4-2-14(22)11-18(17)23/h2-5,10-11,13H,6-9H2,1H3,(H2,24,27)(H,25,28)
InChIKeyJEMFVTSUPUDLFM-UHFFFAOYSA-N
MW401.41 g/mol
LogP2.86
Rot. Bonds4

About N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 56517553) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID56517553
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC NameN-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)ccc1C(N)=O
InChIInChI=1S/C21H21F2N3O3/c1-12-10-15(3-5-16(12)19(24)27)25-20(28)13-6-8-26(9-7-13)21(29)17-4-2-14(22)11-18(17)23/h2-5,10-11,13H,6-9H2,1H3,(H2,24,27)(H,25,28)
InChIKeyJEMFVTSUPUDLFM-UHFFFAOYSA-N
XLogP2.86
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 51208693
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
1-(2,4-difluorobenzoyl)-N-[2-methyl-5-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 46487334
N-[4-(diethylamino)phenyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55375368
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322407
N-(3-fluorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 802933

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (CID 56517553) is N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is Cc1cc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)ccc1C(N)=O.
What is the InChIKey of N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is JEMFVTSUPUDLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c1-12-10-15(3-5-16(12)19(24)27)25-20(28)13-6-8-26(9-7-13)21(29)17-4-2-14(22)11-18(17)23/h2-5,10-11,13H,6-9H2,1H3,(H2,24,27)(H,25,28).
What are the key properties of N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 401.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 56517553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).