tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane

C17H32F2N2O3 — CID 170709342

IUPACtert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1(F)F
InChIInChI=1S/C15H26F2N2O3.C2H6/c1-10(2)8-18-12(20)11-6-7-19(9-15(11,16)17)13(21)22-14(3,4)5;1-2/h10-11H,6-9H2,1-5H3,(H,18,20);1-2H3
InChIKeyYWIRTQLESDVHLC-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.68
Rot. Bonds3

About tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane

tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane (PubChem CID 170709342) has the molecular formula C17H32F2N2O3 and a molecular weight of 350.45 g/mol. Its IUPAC name is tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane
PubChem CID170709342
Molecular FormulaC17H32F2N2O3
Molecular Weight350.45 g/mol
Exact Mass350.24
IUPAC Nametert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane
SMILESCC.CC(C)CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1(F)F
InChIInChI=1S/C15H26F2N2O3.C2H6/c1-10(2)8-18-12(20)11-6-7-19(9-15(11,16)17)13(21)22-14(3,4)5;1-2/h10-11H,6-9H2,1-5H3,(H,18,20);1-2H3
InChIKeyYWIRTQLESDVHLC-UHFFFAOYSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-Butoxycarbonyl)piperidine-4-carboxamide
CID 2735646
Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 2757240
Tert-butyl 4-[(prop-2-yn-1-yl)carbamoyl]piperidine-1-carboxylate
CID 25478174
tert-butyl 4-(2-Aminoethyl)-3,3-difluoropiperidine-1-carboxylate
CID 84807400
Tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate
CID 3365779
N-Cyclohexyl 1-boc-piperidine-4-carboxamide
CID 4273089
Tert-butyl 4-(aminomethyl)-3,3-difluoropiperidine-1-carboxylate
CID 72207469
Tert-butyl 4-(2-amino-1,1-difluoroethyl)piperidine-1-carboxylate
CID 105515125
4-(Methoxymethylcarbamoyl)piperidine-1-carboxylic acid tert-butyl ester
CID 44203202
Tert-butyl 4-[2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-2-oxoethyl]piperidine-1-carboxylate
CID 60595624
Tert-butyl 4-[[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]piperidine-1-carboxylate
CID 72105689
tert-butyl 4-[[[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]methyl]piperidine-1-carboxylate
CID 95972970

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane (CID 170709342) is tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane is CC.CC(C)CNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1(F)F.
What is the InChIKey of tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane?
The InChIKey is YWIRTQLESDVHLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2N2O3.C2H6/c1-10(2)8-18-12(20)11-6-7-19(9-15(11,16)17)13(21)22-14(3,4)5;1-2/h10-11H,6-9H2,1-5H3,(H,18,20);1-2H3.
What are the key properties of tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane?
tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane has a molecular weight of 350.45 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3,3-difluoro-4-(2-methylpropylcarbamoyl)piperidine-1-carboxylate;ethane is sourced from PubChem (CID 170709342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).