1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

C23H34F2N4O3 — CID 55986007

IUPAC1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H34F2N4O3/c1-23(2,15-28(3)4)14-27-21(31)16-8-11-29(12-9-16)20(30)7-10-26-22(32)18-6-5-17(24)13-19(18)25/h5-6,13,16H,7-12,14-15H2,1-4H3,(H,26,32)(H,27,31)
InChIKeyOIQLRNBJXQSGCT-UHFFFAOYSA-N
MW452.55 g/mol
LogP2.03
Rot. Bonds9

About 1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide

1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (PubChem CID 55986007) has the molecular formula C23H34F2N4O3 and a molecular weight of 452.55 g/mol. Its IUPAC name is 1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
PubChem CID55986007
Molecular FormulaC23H34F2N4O3
Molecular Weight452.55 g/mol
Exact Mass452.26
IUPAC Name1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H34F2N4O3/c1-23(2,15-28(3)4)14-27-21(31)16-8-11-29(12-9-16)20(30)7-10-26-22(32)18-6-5-17(24)13-19(18)25/h5-6,13,16H,7-12,14-15H2,1-4H3,(H,26,32)(H,27,31)
InChIKeyOIQLRNBJXQSGCT-UHFFFAOYSA-N
XLogP2.03
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 43018890
3-[[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119177053
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-2,4-difluorobenzamide
CID 51192558
N-[4-[4-(aminomethyl)piperidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide;hydrochloride
CID 119423550
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-fluoro-4-hydroxybenzamide
CID 103939907
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[2-[3-(trifluoromethyl)anilino]acetyl]piperidine-4-carboxamide
CID 56552655
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide
CID 56552654
N-[4-[(3R)-3-aminopyrrolidin-1-yl]-4-oxobutyl]-2,4-difluorobenzamide
CID 119411680
N-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]-2,4-difluorobenzamide
CID 134020823
2,4-difluoro-N-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 51192571
1-tert-butyl-N-[2-[(2,4-difluorobenzoyl)amino]ethyl]-5-oxopyrrolidine-3-carboxamide
CID 108572321
N-[3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-2,4-difluorobenzamide
CID 26959613

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide (CID 55986007) is 1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)CCNC(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
The InChIKey is OIQLRNBJXQSGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2N4O3/c1-23(2,15-28(3)4)14-27-21(31)16-8-11-29(12-9-16)20(30)7-10-26-22(32)18-6-5-17(24)13-19(18)25/h5-6,13,16H,7-12,14-15H2,1-4H3,(H,26,32)(H,27,31).
What are the key properties of 1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide?
1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide has a molecular weight of 452.55 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,4-difluorobenzoyl)amino]propanoyl]-N-[3-(dimethylamino)-2,2-dimethylpropyl]piperidine-4-carboxamide is sourced from PubChem (CID 55986007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).