tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate

C16H30N2O3 — CID 103917519

IUPACtert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
SMILESCCOC1CC(NC2CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C16H30N2O3/c1-5-20-14-9-13(10-14)17-12-7-6-8-18(11-12)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyWZMUGJUMQUVAOB-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.54
Rot. Bonds4

About tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate

tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate (PubChem CID 103917519) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
PubChem CID103917519
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
SMILESCCOC1CC(NC2CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C16H30N2O3/c1-5-20-14-9-13(10-14)17-12-7-6-8-18(11-12)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyWZMUGJUMQUVAOB-UHFFFAOYSA-N
XLogP2.54
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl 3-[(3-methylcyclobutyl)amino]azepane-1-carboxylate
CID 104859796
tert-butyl 3-[(2-ethylcyclopropyl)amino]piperidine-1-carboxylate
CID 103948338
tert-butyl 3-[(3-aminocyclobutyl)amino]azepane-1-carboxylate
CID 107249368
tert-butyl 3-[(2,6-dimethyloxan-4-yl)amino]azepane-1-carboxylate
CID 103923028
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]amino]cyclohexane-1-carboxylic acid
CID 107241554
tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103921567
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(piperidin-3-ylamino)piperidine-1-carboxylate
CID 107241492
tert-butyl 3-[(3-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 115735709
tert-butyl 3-(ethylsulfonylamino)piperidine-1-carboxylate
CID 75994051
tert-butyl 3-(methylsulfanylamino)piperidine-1-carboxylate
CID 142582835

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate (CID 103917519) is tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate is CCOC1CC(NC2CCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate?
The InChIKey is WZMUGJUMQUVAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-20-14-9-13(10-14)17-12-7-6-8-18(11-12)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate?
tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 103917519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).