tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate

C17H32N2O3 — CID 160697119

IUPACtert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)C(C)(C)NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O3/c1-12(2)17(6,7)18-14(20)13-9-8-10-19(11-13)15(21)22-16(3,4)5/h12-13H,8-11H2,1-7H3,(H,18,20)
InChIKeyJWUAXXXMGISZJM-UHFFFAOYSA-N
MW312.45 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate

tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate (PubChem CID 160697119) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
PubChem CID160697119
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC Nametert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate
SMILESCC(C)C(C)(C)NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C17H32N2O3/c1-12(2)17(6,7)18-14(20)13-9-8-10-19(11-13)15(21)22-16(3,4)5/h12-13H,8-11H2,1-7H3,(H,18,20)
InChIKeyJWUAXXXMGISZJM-UHFFFAOYSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(3-methylbutylcarbamoyl)piperidine-1-carboxylate
CID 43176192
3-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carbonyl]amino]butanoic acid
CID 84551294
N-(2,3-dimethylbutan-2-yl)cyclohexanecarboxamide
CID 126636140
tert-butyl 3-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidine-1-carboxylate
CID 115636066
tert-butyl 3-[3-(methylcarbamoyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 20614161
tert-butyl (3R)-3-oxaldehydoylpiperidine-1-carboxylate
CID 171085627
tert-butyl (3S)-3-[[(1R,2R)-2-methylcyclohexyl]carbamoyl]piperidine-1-carboxylate
CID 124750324
tert-butyl 3-[(4-methylpiperazin-1-yl)carbamoyl]piperidine-1-carboxylate
CID 84556160
tert-butyl 3-[(cyclobutanecarbonylamino)carbamoyl]azetidine-1-carboxylate
CID 163488927
tert-butyl (3S)-3-(2,2,2-trifluoroacetyl)piperidine-1-carboxylate
CID 95566430
tert-butyl 3-(pentylcarbamoyl)piperidine-1-carboxylate
CID 43176190
tert-butyl 3-[1-(4-bromophenyl)ethylcarbamoyl]piperidine-1-carboxylate
CID 24515347

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate (CID 160697119) is tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate is CC(C)C(C)(C)NC(=O)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is JWUAXXXMGISZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-12(2)17(6,7)18-14(20)13-9-8-10-19(11-13)15(21)22-16(3,4)5/h12-13H,8-11H2,1-7H3,(H,18,20).
What are the key properties of tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 312.45 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2,3-dimethylbutan-2-ylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 160697119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).