N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide

C9H14F2N2O3 — CID 104857784

IUPACN-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NCC(F)(F)CO)CN1
InChIInChI=1S/C9H14F2N2O3/c10-9(11,5-14)4-13-8(16)6-1-2-7(15)12-3-6/h6,14H,1-5H2,(H,12,15)(H,13,16)
InChIKeyYGHUDSUTHSKZQM-UHFFFAOYSA-N
MW236.22 g/mol
LogP-0.74
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 104857784) has the molecular formula C9H14F2N2O3 and a molecular weight of 236.22 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide
PubChem CID104857784
Molecular FormulaC9H14F2N2O3
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NCC(F)(F)CO)CN1
InChIInChI=1S/C9H14F2N2O3/c10-9(11,5-14)4-13-8(16)6-1-2-7(15)12-3-6/h6,14H,1-5H2,(H,12,15)(H,13,16)
InChIKeyYGHUDSUTHSKZQM-UHFFFAOYSA-N
XLogP-0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 5-0.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylbutyl)-6-oxopiperidine-3-carboxamide
CID 79039671
N-(5-hydroxy-2,2-dimethylpentyl)-6-oxopiperidine-3-carboxamide
CID 103899879
N-(2-cyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036834
N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
CID 106176720
N-(2-aminoethyl)-6-oxopiperidine-3-carboxamide
CID 81459337
(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
CID 106176675
N-(2,2-dicyclopropylethyl)-6-oxopiperidine-3-carboxamide
CID 79036656
N-[(2R)-2-hydroxypropyl]-6-oxopiperidine-3-carboxamide
CID 103884751
N-(2-methylprop-2-enyl)-6-oxopiperidine-3-carboxamide
CID 114618525
6-oxo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 112728746
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
6-oxopiperidine-3-carbohydrazide
CID 126970948

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide (CID 104857784) is N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)NCC(F)(F)CO)CN1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is YGHUDSUTHSKZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3/c10-9(11,5-14)4-13-8(16)6-1-2-7(15)12-3-6/h6,14H,1-5H2,(H,12,15)(H,13,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 236.22 g/mol, XLogP of -0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 104857784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).