4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide

C10H17F2N3O2 — CID 175824276

IUPAC4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide
SMILESNC(=O)C(CCN1CCCC(F)(F)C1)NC=O
InChIInChI=1S/C10H17F2N3O2/c11-10(12)3-1-4-15(6-10)5-2-8(9(13)17)14-7-16/h7-8H,1-6H2,(H2,13,17)(H,14,16)
InChIKeyBOQKDMOOLQTGIE-UHFFFAOYSA-N
MW249.26 g/mol
LogP-0.29
Rot. Bonds6

About 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide

4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide (PubChem CID 175824276) has the molecular formula C10H17F2N3O2 and a molecular weight of 249.26 g/mol. Its IUPAC name is 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide.

Molecular Properties

Compound Name4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide
PubChem CID175824276
Molecular FormulaC10H17F2N3O2
Molecular Weight249.26 g/mol
Exact Mass249.13
IUPAC Name4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide
SMILESNC(=O)C(CCN1CCCC(F)(F)C1)NC=O
InChIInChI=1S/C10H17F2N3O2/c11-10(12)3-1-4-15(6-10)5-2-8(9(13)17)14-7-16/h7-8H,1-6H2,(H2,13,17)(H,14,16)
InChIKeyBOQKDMOOLQTGIE-UHFFFAOYSA-N
XLogP-0.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide?
The IUPAC name of 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide (CID 175824276) is 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide.
What is the SMILES notation for 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide?
The canonical SMILES for 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide is NC(=O)C(CCN1CCCC(F)(F)C1)NC=O.
What is the InChIKey of 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide?
The InChIKey is BOQKDMOOLQTGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O2/c11-10(12)3-1-4-15(6-10)5-2-8(9(13)17)14-7-16/h7-8H,1-6H2,(H2,13,17)(H,14,16).
What are the key properties of 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide?
4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide has a molecular weight of 249.26 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropiperidin-1-yl)-2-formamidobutanamide is sourced from PubChem (CID 175824276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).