N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide

C14H24FN3O2 — CID 156560031

IUPACN-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCC(/C=C1\CCCCN1F)CC(=O)N(C)C(C)=O
InChIInChI=1S/C14H24FN3O2/c1-11(19)17(3)14(20)9-12(10-16-2)8-13-6-4-5-7-18(13)15/h8,12,16H,4-7,9-10H2,1-3H3/b13-8+
InChIKeyUFYWZYKQKUFGPH-MDWZMJQESA-N
MW285.36 g/mol
LogP1.47
Rot. Bonds5

About N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide

N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide (PubChem CID 156560031) has the molecular formula C14H24FN3O2 and a molecular weight of 285.36 g/mol. Its IUPAC name is N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide
PubChem CID156560031
Molecular FormulaC14H24FN3O2
Molecular Weight285.36 g/mol
Exact Mass285.19
IUPAC NameN-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide
SMILESCNCC(/C=C1\CCCCN1F)CC(=O)N(C)C(C)=O
InChIInChI=1S/C14H24FN3O2/c1-11(19)17(3)14(20)9-12(10-16-2)8-13-6-4-5-7-18(13)15/h8,12,16H,4-7,9-10H2,1-3H3/b13-8+
InChIKeyUFYWZYKQKUFGPH-MDWZMJQESA-N
XLogP1.47
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide?
The IUPAC name of N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide (CID 156560031) is N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide.
What is the SMILES notation for N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide?
The canonical SMILES for N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide is CNCC(/C=C1\CCCCN1F)CC(=O)N(C)C(C)=O.
What is the InChIKey of N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide?
The InChIKey is UFYWZYKQKUFGPH-MDWZMJQESA-N. The full InChI is InChI=1S/C14H24FN3O2/c1-11(19)17(3)14(20)9-12(10-16-2)8-13-6-4-5-7-18(13)15/h8,12,16H,4-7,9-10H2,1-3H3/b13-8+.
What are the key properties of N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide?
N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide has a molecular weight of 285.36 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-[(E)-(1-fluoropiperidin-2-ylidene)methyl]-N-methyl-4-(methylamino)butanamide is sourced from PubChem (CID 156560031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).