N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

C20H19F2N3O3 — CID 51208693

IUPACN-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H19F2N3O3/c21-13-5-6-14(16(22)11-13)20(28)25-9-7-12(8-10-25)19(27)24-17-4-2-1-3-15(17)18(23)26/h1-6,11-12H,7-10H2,(H2,23,26)(H,24,27)
InChIKeyOMVZQVOKTWYCNN-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.55
Rot. Bonds4

About N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide

N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (PubChem CID 51208693) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
PubChem CID51208693
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC NameN-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
SMILESNC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H19F2N3O3/c21-13-5-6-14(16(22)11-13)20(28)25-9-7-12(8-10-25)19(27)24-17-4-2-1-3-15(17)18(23)26/h1-6,11-12H,7-10H2,(H2,23,26)(H,24,27)
InChIKeyOMVZQVOKTWYCNN-UHFFFAOYSA-N
XLogP2.55
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide;hydrochloride
CID 119422265
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
N-(2-anilinophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 112772245
N-(3-chloro-2-fluorophenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 30992722
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
1-(2,4-difluorobenzoyl)-N-(2,3,4-trifluorophenyl)piperidine-4-carboxamide
CID 78803399
N-(4-carbamoyl-3-methylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 56517553
1-(2-fluorobenzoyl)-N-(2-fluorophenyl)piperidine-4-carboxamide
CID 17019008
1-(2,4-difluorobenzoyl)-N-(3,4-difluorophenyl)piperidine-4-carboxamide
CID 78803404
1-(2,4-difluorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-4-carboxamide
CID 30433077
1-(2,4-difluorobenzoyl)-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 30430699
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide (CID 51208693) is N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is NC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
The InChIKey is OMVZQVOKTWYCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c21-13-5-6-14(16(22)11-13)20(28)25-9-7-12(8-10-25)19(27)24-17-4-2-1-3-15(17)18(23)26/h1-6,11-12H,7-10H2,(H2,23,26)(H,24,27).
What are the key properties of N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide?
N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide has a molecular weight of 387.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoylphenyl)-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 51208693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).