1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide

C9H16F2N4O2 — CID 55213669

IUPAC1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(F)(F)C(=O)NN)CC1
InChIInChI=1S/C9H16F2N4O2/c1-13-7(16)6-2-4-15(5-3-6)9(10,11)8(17)14-12/h6H,2-5,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyWYEMPPVOFFBDDV-UHFFFAOYSA-N
MW250.25 g/mol
LogP-0.97
Rot. Bonds3

About 1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide

1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide (PubChem CID 55213669) has the molecular formula C9H16F2N4O2 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide
PubChem CID55213669
Molecular FormulaC9H16F2N4O2
Molecular Weight250.25 g/mol
Exact Mass250.12
IUPAC Name1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(C(F)(F)C(=O)NN)CC1
InChIInChI=1S/C9H16F2N4O2/c1-13-7(16)6-2-4-15(5-3-6)9(10,11)8(17)14-12/h6H,2-5,12H2,1H3,(H,13,16)(H,14,17)
InChIKeyWYEMPPVOFFBDDV-UHFFFAOYSA-N
XLogP-0.97
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydrazinyl-2,2-dimethyl-3-oxopropyl)-N-methylpiperidine-4-carboxamide
CID 79631814
(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
CID 129035159
N,1-dimethylpiperidine-4-carboxamide;ethane
CID 156719814
N-methyl-1-sulfanylpiperidine-4-carboxamide
CID 88912319
1-(4-hydrazinyl-4-oxobutyl)-N-methylpiperidine-4-carboxamide
CID 63584988
1-(cyclopropanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 60637060
ethyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 60637131
4-N-methylcyclohexane-1,4-dicarboxamide
CID 131039944
N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 47174519
1-(2-aminopropyl)-N-methylpiperidine-4-carboxamide
CID 102688944
1-acetyl-N-methylpyrrolidine-3-carboxamide;ethane
CID 171808100
1-(2-hydroxyethyl)-N-methylpiperidine-4-carboxamide
CID 130917589

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide (CID 55213669) is 1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(C(F)(F)C(=O)NN)CC1.
What is the InChIKey of 1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide?
The InChIKey is WYEMPPVOFFBDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N4O2/c1-13-7(16)6-2-4-15(5-3-6)9(10,11)8(17)14-12/h6H,2-5,12H2,1H3,(H,13,16)(H,14,17).
What are the key properties of 1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide?
1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide has a molecular weight of 250.25 g/mol, XLogP of -0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoro-2-hydrazinyl-2-oxoethyl)-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55213669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).