N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide

C14H20F2N4O — CID 114505992

IUPACN-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCC1CN(C)CCC1NC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C14H20F2N4O/c1-8-7-20(2)4-3-12(8)18-14(21)9-5-10(15)13(19-17)11(16)6-9/h5-6,8,12,19H,3-4,7,17H2,1-2H3,(H,18,21)
InChIKeyCYXDZXNNADBBMX-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.32
Rot. Bonds3

About N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide

N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide (PubChem CID 114505992) has the molecular formula C14H20F2N4O and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide
PubChem CID114505992
Molecular FormulaC14H20F2N4O
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC NameN-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide
SMILESCC1CN(C)CCC1NC(=O)c1cc(F)c(NN)c(F)c1
InChIInChI=1S/C14H20F2N4O/c1-8-7-20(2)4-3-12(8)18-14(21)9-5-10(15)13(19-17)11(16)6-9/h5-6,8,12,19H,3-4,7,17H2,1-2H3,(H,18,21)
InChIKeyCYXDZXNNADBBMX-UHFFFAOYSA-N
XLogP1.32
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinyl-6-methylpyridine-4-carboxamide
CID 114505989
3,5-difluoro-4-hydrazinyl-N-(2-methyloxolan-3-yl)benzamide
CID 82737326
N-(1,3-dimethylpiperidin-4-yl)-4-sulfanylbenzamide
CID 107036333
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,6-difluorobenzamide
CID 114502840
3,5-difluoro-4-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185967
N-(1,3-dimethylpiperidin-4-yl)-3-fluoro-2-(methylamino)benzamide
CID 114505924
4-amino-3,5-difluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 63185966
3-bromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzamide
CID 113247797
N-(1,3-dimethylpiperidin-4-yl)-4-(propylamino)benzamide
CID 114505976
N-(1,3-dimethylpiperidin-4-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 114504320
5-amino-N-(1,3-dimethylpiperidin-4-yl)-2,4-dimethylbenzamide
CID 102706008
N-(1,3-dimethylpiperidin-4-yl)-6-hydrazinylpyridine-2-carboxamide
CID 114505987

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide?
The IUPAC name of N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide (CID 114505992) is N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide.
What is the SMILES notation for N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide?
The canonical SMILES for N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide is CC1CN(C)CCC1NC(=O)c1cc(F)c(NN)c(F)c1.
What is the InChIKey of N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide?
The InChIKey is CYXDZXNNADBBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O/c1-8-7-20(2)4-3-12(8)18-14(21)9-5-10(15)13(19-17)11(16)6-9/h5-6,8,12,19H,3-4,7,17H2,1-2H3,(H,18,21).
What are the key properties of N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide?
N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide has a molecular weight of 298.34 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpiperidin-4-yl)-3,5-difluoro-4-hydrazinylbenzamide is sourced from PubChem (CID 114505992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).