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

C9H16F2N2O2 — CID 103796482

IUPACN-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCCN1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)7(14)5-13-9(15)6-3-1-2-4-12-6/h6-8,12,14H,1-5H2,(H,13,15)
InChIKeyFPUFJFSYHAESBZ-UHFFFAOYSA-N
MW222.23 g/mol
LogP-0.13
Rot. Bonds4

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

N-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide (PubChem CID 103796482) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide
PubChem CID103796482
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCCN1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)7(14)5-13-9(15)6-3-1-2-4-12-6/h6-8,12,14H,1-5H2,(H,13,15)
InChIKeyFPUFJFSYHAESBZ-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide (CID 103796482) is N-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide is O=C(NCC(O)C(F)F)C1CCCCN1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide?
The InChIKey is FPUFJFSYHAESBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-8(11)7(14)5-13-9(15)6-3-1-2-4-12-6/h6-8,12,14H,1-5H2,(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)piperidine-2-carboxamide has a molecular weight of 222.23 g/mol, XLogP of -0.13, 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)piperidine-2-carboxamide is sourced from PubChem (CID 103796482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).