(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide

C9H16F2N2O2 — CID 106176675

IUPAC(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)[C@H]1CCCNC1
InChIInChI=1S/C9H16F2N2O2/c10-9(11,6-14)5-13-8(15)7-2-1-3-12-4-7/h7,12,14H,1-6H2,(H,13,15)/t7-/m0/s1
InChIKeyNOPILUFUVZRKRZ-ZETCQYMHSA-N
MW222.23 g/mol
LogP-0.27
Rot. Bonds4

About (3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide

(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 106176675) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is (3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
PubChem CID106176675
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide
SMILESO=C(NCC(F)(F)CO)[C@H]1CCCNC1
InChIInChI=1S/C9H16F2N2O2/c10-9(11,6-14)5-13-8(15)7-2-1-3-12-4-7/h7,12,14H,1-6H2,(H,13,15)/t7-/m0/s1
InChIKeyNOPILUFUVZRKRZ-ZETCQYMHSA-N
XLogP-0.27
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-3-carboxamide
CID 106176720
N-(2,2,3,3,3-pentafluoropropyl)piperidine-3-carboxamide
CID 162568495
(3S)-N-[2-ethyl-2-(hydroxymethyl)butyl]piperidine-3-carboxamide
CID 114164701
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
N-(2,2-difluoro-3-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 106176991
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
N-(2-methoxy-2-methylpropyl)piperidine-3-carboxamide
CID 115734334
(3R)-N-(5,5,5-trifluoropentyl)piperidine-3-carboxamide
CID 113327524
N-ethylpiperidine-3-carboxamide;hydrochloride
CID 53410852
(2S)-N-(2,2-difluoro-3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 106176647
3-hydroxy-3-methyl-4-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81133727
N-(2,2-difluoro-3-hydroxypropyl)-6-oxopiperidine-3-carboxamide
CID 104857784

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide (CID 106176675) is (3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide is O=C(NCC(F)(F)CO)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is NOPILUFUVZRKRZ-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-9(11,6-14)5-13-8(15)7-2-1-3-12-4-7/h7,12,14H,1-6H2,(H,13,15)/t7-/m0/s1.
What are the key properties of (3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide?
(3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 222.23 g/mol, XLogP of -0.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,2-difluoro-3-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 106176675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).