N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide

C10H16F2N2O3 — CID 142439224

IUPACN-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESCCC(F)(F)CNC(=O)C1C(=O)NCCC1O
InChIInChI=1S/C10H16F2N2O3/c1-2-10(11,12)5-14-9(17)7-6(15)3-4-13-8(7)16/h6-7,15H,2-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyBEVMUCWMVHIVJW-UHFFFAOYSA-N
MW250.24 g/mol
LogP-0.36
Rot. Bonds4

About N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide

N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (PubChem CID 142439224) has the molecular formula C10H16F2N2O3 and a molecular weight of 250.24 g/mol. Its IUPAC name is N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
PubChem CID142439224
Molecular FormulaC10H16F2N2O3
Molecular Weight250.24 g/mol
Exact Mass250.11
IUPAC NameN-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
SMILESCCC(F)(F)CNC(=O)C1C(=O)NCCC1O
InChIInChI=1S/C10H16F2N2O3/c1-2-10(11,12)5-14-9(17)7-6(15)3-4-13-8(7)16/h6-7,15H,2-5H2,1H3,(H,13,16)(H,14,17)
InChIKeyBEVMUCWMVHIVJW-UHFFFAOYSA-N
XLogP-0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide (CID 142439224) is N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is CCC(F)(F)CNC(=O)C1C(=O)NCCC1O.
What is the InChIKey of N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
The InChIKey is BEVMUCWMVHIVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O3/c1-2-10(11,12)5-14-9(17)7-6(15)3-4-13-8(7)16/h6-7,15H,2-5H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide?
N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide has a molecular weight of 250.24 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide is sourced from PubChem (CID 142439224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).