4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide

C11H18F2N2O2 — CID 121184666

IUPAC4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)3-5-15(6-4-11)10(16)14-8-9-2-1-7-17-9/h9H,1-8H2,(H,14,16)
InChIKeyHIHCVBLMVPDWRI-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.61
Rot. Bonds2

About 4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide

4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 121184666) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
PubChem CID121184666
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)3-5-15(6-4-11)10(16)14-8-9-2-1-7-17-9/h9H,1-8H2,(H,14,16)
InChIKeyHIHCVBLMVPDWRI-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(Oxolan-2-yl)methyl]morpholine-4-carboxamide
CID 3311551
N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
CID 118740666
(diethylamino)-N-(oxolan-2-ylmethyl)carboxamide
CID 2985186
1-Cyclopropyl-1-(2,2-difluoroethyl)-3-(oxolan-2-ylmethyl)urea
CID 72021508
N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75427473
3-(2,2-Difluoroethyl)-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 86817987
N-(oxan-3-yl)-3-(trifluoromethoxy)pyrrolidine-1-carboxamide
CID 142539991
N-{[(2R)-oxolan-2-yl]methyl}morpholine-4-carboxamide
CID 735630
1-[3-[Methyl(2,2,2-trifluoroethyl)amino]propyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 60482197
3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-cyclobutyl-1-(3,3,3-trifluoropropyl)urea
CID 71973953
N-[2-(oxolan-2-ylmethoxy)ethyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 72133812
3-[1-(2,2-Difluoroethyl)piperidin-4-yl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 72145137

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide (CID 121184666) is 4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide is O=C(NCC1CCCO1)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is HIHCVBLMVPDWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c12-11(13)3-5-15(6-4-11)10(16)14-8-9-2-1-7-17-9/h9H,1-8H2,(H,14,16).
What are the key properties of 4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide?
4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 248.27 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 121184666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).