tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate

C11H21N3O3 — CID 10562199

IUPACtert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1
InChIInChI=1S/C11H21N3O3/c1-10(2,3)17-9(16)14-6-4-11(13,5-7-14)8(12)15/h4-7,13H2,1-3H3,(H2,12,15)
InChIKeyREYFNZOBKWUTGR-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.20
Rot. Bonds1

About tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate

tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate (PubChem CID 10562199) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate
PubChem CID10562199
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1
InChIInChI=1S/C11H21N3O3/c1-10(2,3)17-9(16)14-6-4-11(13,5-7-14)8(12)15/h4-7,13H2,1-3H3,(H2,12,15)
InChIKeyREYFNZOBKWUTGR-UHFFFAOYSA-N
XLogP0.20
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(tert-Butoxycarbonyl)piperidine-4-carboxamide
CID 2735646
tert-Butyl 4-amino-4-methylpiperidine-1-carboxylate
CID 11310432
Tert-butyl 4-(methylcarbamoyl)piperidine-1-carboxylate
CID 2757240
tert-Butyl 4-amino-4-(aminomethyl)piperidine-1-carboxylate
CID 22975818
tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate
CID 50988935
Tert-butyl 5-oxo-1,4,9-triazaspiro[5.5]undecane-9-carboxylate
CID 51072284
Tert-butyl 4-amino-4-(fluoromethyl)piperidine-1-carboxylate
CID 70254928
Tert-butyl 4-(3-amino-2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
CID 77965588
Tert-butyl 4-(propylcarbamoyl)piperidine-1-carboxylate
CID 3365779
Tert-butyl 4-(2-amino-2-oxoethyl)piperidine-1-carboxylate
CID 24901825
tert-butyl N-(4-(4-aminopiperidin-1-yl)-4-oxobutyl)carbamate
CID 50986502
tert-butyl N-{1-[(2S)-2-aminopropanoyl]piperidin-3-yl}-N-methylcarbamate
CID 66566265

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate (CID 10562199) is tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(N)(C(N)=O)CC1.
What is the InChIKey of tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate?
The InChIKey is REYFNZOBKWUTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-10(2,3)17-9(16)14-6-4-11(13,5-7-14)8(12)15/h4-7,13H2,1-3H3,(H2,12,15).
What are the key properties of tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate?
tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-amino-4-carbamoylpiperidine-1-carboxylate is sourced from PubChem (CID 10562199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).