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

C9H14F2N2O3 — CID 103770268

IUPACN-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NCC(O)C(F)F)CN1
InChIInChI=1S/C9H14F2N2O3/c10-8(11)6(14)4-13-9(16)5-1-2-7(15)12-3-5/h5-6,8,14H,1-4H2,(H,12,15)(H,13,16)
InChIKeyBWJSMSBXDBPOQC-UHFFFAOYSA-N
MW236.22 g/mol
LogP-0.75
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 103770268) has the molecular formula C9H14F2N2O3 and a molecular weight of 236.22 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide
PubChem CID103770268
Molecular FormulaC9H14F2N2O3
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C1CCC(C(=O)NCC(O)C(F)F)CN1
InChIInChI=1S/C9H14F2N2O3/c10-8(11)6(14)4-13-9(16)5-1-2-7(15)12-3-5/h5-6,8,14H,1-4H2,(H,12,15)(H,13,16)
InChIKeyBWJSMSBXDBPOQC-UHFFFAOYSA-N
XLogP-0.75
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 ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 2760459
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 54874246
N-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-1-carboxamide
CID 71250574
N-(2,2-difluorobutyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
CID 142439224
N-(1,1-difluoropropyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
CID 142439260
N-(2,2-difluoroethyl)-4-hydroxy-2-oxopiperidine-3-carboxamide
CID 142439306
4-hydroxy-2-oxo-N-(3,3,3-trifluoropropyl)piperidine-3-carboxamide
CID 142439312
4-hydroxy-2-oxo-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 142439350
N-(2-hydroxyethyl)-2-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 54910895
N-(2-hydroxyethyl)-3-methyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 63131688
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63827768
N-(2-aminoethyl)-1-(3,3,3-trifluoro-2-hydroxypropyl)piperidine-3-carboxamide
CID 63900483

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide (CID 103770268) is N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide is O=C1CCC(C(=O)NCC(O)C(F)F)CN1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is BWJSMSBXDBPOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O3/c10-8(11)6(14)4-13-9(16)5-1-2-7(15)12-3-5/h5-6,8,14H,1-4H2,(H,12,15)(H,13,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 236.22 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 103770268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).