2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid

C10H15FN2O3 — CID 83266276

IUPAC2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid
SMILESCN(C)C(=O)N1CCC(=C(F)C(=O)O)CC1
InChIInChI=1S/C10H15FN2O3/c1-12(2)10(16)13-5-3-7(4-6-13)8(11)9(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeySKAFYNFVYZZXMX-UHFFFAOYSA-N
MW230.24 g/mol
LogP1.07
Rot. Bonds1

About 2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid

2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid (PubChem CID 83266276) has the molecular formula C10H15FN2O3 and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid.

Molecular Properties

Compound Name2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid
PubChem CID83266276
Molecular FormulaC10H15FN2O3
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid
SMILESCN(C)C(=O)N1CCC(=C(F)C(=O)O)CC1
InChIInChI=1S/C10H15FN2O3/c1-12(2)10(16)13-5-3-7(4-6-13)8(11)9(14)15/h3-6H2,1-2H3,(H,14,15)
InChIKeySKAFYNFVYZZXMX-UHFFFAOYSA-N
XLogP1.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxyimino-N,N-dimethylpiperidine-1-carboxamide
CID 79154081
N,N-dimethyl-4-propan-2-ylpiperidine-1-carboxamide
CID 58688988
N,N,3-trimethyl-4-oxopiperidine-1-carboxamide
CID 114500015
4-benzoyl-N,N-dimethylpiperazine-1-carboxamide
CID 1121209
3-[4-(dimethylcarbamoyl)piperazin-1-yl]-3-oxopropanoic acid
CID 62231766
N,N-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 115661303
4-(dimethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 110470375
N,N-dimethyl-4-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 91240753
4-tert-butyl-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 115774578
4-amino-1-(dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 83266479
4-(difluoromethyl)-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 83266382
ethane;4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 177000200

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid?
The IUPAC name of 2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid (CID 83266276) is 2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid.
What is the SMILES notation for 2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid?
The canonical SMILES for 2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid is CN(C)C(=O)N1CCC(=C(F)C(=O)O)CC1.
What is the InChIKey of 2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid?
The InChIKey is SKAFYNFVYZZXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O3/c1-12(2)10(16)13-5-3-7(4-6-13)8(11)9(14)15/h3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid?
2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid has a molecular weight of 230.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylcarbamoyl)piperidin-4-ylidene]-2-fluoroacetic acid is sourced from PubChem (CID 83266276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).