N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide

C9H16F2N2O2 — CID 103731761

IUPACN-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide
SMILESO=C(NCC(O)C(F)F)N1CCCCC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)7(14)6-12-9(15)13-4-2-1-3-5-13/h7-8,14H,1-6H2,(H,12,15)
InChIKeyORFUDYDAWAVIRT-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.81
Rot. Bonds3

About N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide (PubChem CID 103731761) 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-1-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide
PubChem CID103731761
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide
SMILESO=C(NCC(O)C(F)F)N1CCCCC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)7(14)6-12-9(15)13-4-2-1-3-5-13/h7-8,14H,1-6H2,(H,12,15)
InChIKeyORFUDYDAWAVIRT-UHFFFAOYSA-N
XLogP0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide (CID 103731761) is N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide is O=C(NCC(O)C(F)F)N1CCCCC1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide?
The InChIKey is ORFUDYDAWAVIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-8(11)7(14)6-12-9(15)13-4-2-1-3-5-13/h7-8,14H,1-6H2,(H,12,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide has a molecular weight of 222.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)piperidine-1-carboxamide is sourced from PubChem (CID 103731761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).