5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide

C11H19F2N3O2 — CID 175824207

IUPAC5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide
SMILESNC(=O)C(CCCN1CCCC(F)(F)C1)NC=O
InChIInChI=1S/C11H19F2N3O2/c12-11(13)4-2-6-16(7-11)5-1-3-9(10(14)18)15-8-17/h8-9H,1-7H2,(H2,14,18)(H,15,17)
InChIKeyJMBSPULRKDRBHH-UHFFFAOYSA-N
MW263.29 g/mol
LogP0.10
Rot. Bonds7

About 5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide

5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide (PubChem CID 175824207) has the molecular formula C11H19F2N3O2 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide.

Molecular Properties

Compound Name5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide
PubChem CID175824207
Molecular FormulaC11H19F2N3O2
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Name5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide
SMILESNC(=O)C(CCCN1CCCC(F)(F)C1)NC=O
InChIInChI=1S/C11H19F2N3O2/c12-11(13)4-2-6-16(7-11)5-1-3-9(10(14)18)15-8-17/h8-9H,1-7H2,(H2,14,18)(H,15,17)
InChIKeyJMBSPULRKDRBHH-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 50.10
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 5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide?
The IUPAC name of 5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide (CID 175824207) is 5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide.
What is the SMILES notation for 5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide?
The canonical SMILES for 5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide is NC(=O)C(CCCN1CCCC(F)(F)C1)NC=O.
What is the InChIKey of 5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide?
The InChIKey is JMBSPULRKDRBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O2/c12-11(13)4-2-6-16(7-11)5-1-3-9(10(14)18)15-8-17/h8-9H,1-7H2,(H2,14,18)(H,15,17).
What are the key properties of 5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide?
5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide has a molecular weight of 263.29 g/mol, XLogP of 0.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-difluoropiperidin-1-yl)-2-formamidopentanamide is sourced from PubChem (CID 175824207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).