tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate

C16H28N2O3 — CID 126454930

IUPACtert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C2(C)CCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-15(2,3)21-14(20)18-10-6-12(7-11-18)17-13(19)16(4)8-5-9-16/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyZNUOOCSMIAMAPA-UHFFFAOYSA-N
MW296.41 g/mol
LogP2.69
Rot. Bonds2

About tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate (PubChem CID 126454930) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate
PubChem CID126454930
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Nametert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)C2(C)CCC2)CC1
InChIInChI=1S/C16H28N2O3/c1-15(2,3)21-14(20)18-10-6-12(7-11-18)17-13(19)16(4)8-5-9-16/h12H,5-11H2,1-4H3,(H,17,19)
InChIKeyZNUOOCSMIAMAPA-UHFFFAOYSA-N
XLogP2.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(1-acetamidocyclopropanecarbonyl)amino]piperidine-1-carboxylate
CID 155233863
tert-butyl 4-(azetidine-1-carbonylamino)piperidine-1-carboxylate
CID 71940585
tert-butyl 4-(pyrrolidine-1-carbonylamino)piperidine-1-carboxylate
CID 53255659
tert-butyl 4-[2-(cyclopentylamino)-2-oxoethyl]piperidine-1-carboxylate
CID 172898653
tert-butyl 4-[1-(1-methylcyclopropyl)ethylamino]piperidine-1-carboxylate
CID 103729502
tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate
CID 121418713
tert-butyl 4-[[1-(3-chlorophenyl)cyclobutanecarbonyl]amino]piperidine-1-carboxylate
CID 52731131
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456
tert-butyl 4-[[2-(thietan-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 126824092
tert-butyl 4-(1-methylcyclobutanecarbonyl)-1,4-diazepane-1-carboxylate
CID 58147649
tert-butyl 4-[[(4S)-4-methylazepane-1-carbonyl]amino]piperidine-1-carboxylate
CID 95041598
tert-butyl 4-[[(1-methylcyclopentyl)methylamino]methyl]piperidine-1-carboxylate
CID 103730249

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate (CID 126454930) is tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)C2(C)CCC2)CC1.
What is the InChIKey of tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate?
The InChIKey is ZNUOOCSMIAMAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-15(2,3)21-14(20)18-10-6-12(7-11-18)17-13(19)16(4)8-5-9-16/h12H,5-11H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate has a molecular weight of 296.41 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 126454930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).