tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate

C13H22F2N2O3 — CID 170709260

IUPACtert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate
SMILESCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1(F)F
InChIInChI=1S/C13H22F2N2O3/c1-5-16-10(18)9-6-7-17(8-13(9,14)15)11(19)20-12(2,3)4/h9H,5-8H2,1-4H3,(H,16,18)
InChIKeyMXDWWLTZNVXVGM-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.01
Rot. Bonds2

About tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate

tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate (PubChem CID 170709260) has the molecular formula C13H22F2N2O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate
PubChem CID170709260
Molecular FormulaC13H22F2N2O3
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Nametert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate
SMILESCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1(F)F
InChIInChI=1S/C13H22F2N2O3/c1-5-16-10(18)9-6-7-17(8-13(9,14)15)11(19)20-12(2,3)4/h9H,5-8H2,1-4H3,(H,16,18)
InChIKeyMXDWWLTZNVXVGM-UHFFFAOYSA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-Butoxycarbonyl)piperidine-4-carboxamide
CID 2735646
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652
Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 2757240
tert-butyl N-ethyl-N-(piperidin-4-ylmethyl)carbamate
CID 19691413
Tert-butyl 4-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 21839532
tert-butyl N-methyl-N-[2-(piperidin-4-yl)ethyl]carbamate
CID 23297746
Tert-butyl 4-[(prop-2-yn-1-yl)carbamoyl]piperidine-1-carboxylate
CID 25478174
tert-Butyl 4-[2-(methylamino)ethyl]piperidine-1-carboxylate
CID 46835695
tert-Butyl 4-(trifluoroacetyl)piperidine-1-carboxylate
CID 49759203
tert-Butyl 4-(1-amino-2,2,2-trifluoroethyl)piperidine-1-carboxylate
CID 49759504
Tert-butyl 4-((ethylamino)methyl)piperidine-1-carboxylate
CID 53249196

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate (CID 170709260) is tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate is CCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1(F)F.
What is the InChIKey of tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate?
The InChIKey is MXDWWLTZNVXVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O3/c1-5-16-10(18)9-6-7-17(8-13(9,14)15)11(19)20-12(2,3)4/h9H,5-8H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate?
tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate has a molecular weight of 292.33 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(ethylcarbamoyl)-3,3-difluoropiperidine-1-carboxylate is sourced from PubChem (CID 170709260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).