tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate

C11H21N3O3 — CID 22357480

IUPACtert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NC(N)=O)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-5-8(7-14)13-9(12)15/h8H,4-7H2,1-3H3,(H3,12,13,15)
InChIKeyQEPWCXCCZBAVLY-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.05
Rot. Bonds1

About tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate

tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate (PubChem CID 22357480) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
PubChem CID22357480
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Nametert-butyl 3-(carbamoylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NC(N)=O)C1
InChIInChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-5-8(7-14)13-9(12)15/h8H,4-7H2,1-3H3,(H3,12,13,15)
InChIKeyQEPWCXCCZBAVLY-UHFFFAOYSA-N
XLogP1.05
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 171397391
tert-butyl (3R)-3-[[(2S)-2-amino-3-methylbutanoyl]amino]piperidine-1-carboxylate
CID 66564157
tert-butyl (3R)-3-[(2-methoxyacetyl)amino]piperidine-1-carboxylate
CID 53256453
tert-butyl (3S)-3-[[(E)-but-2-enoyl]amino]piperidine-1-carboxylate
CID 155353442
tert-butyl 3-(methylsulfanylamino)piperidine-1-carboxylate
CID 142582835
tert-butyl (3R)-3-(oxane-4-carbonylamino)piperidine-1-carboxylate
CID 53256460
tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
CID 126812951
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
tert-butyl (3S)-3-[[(E)-3-methoxy-2-methylprop-2-enoyl]amino]piperidine-1-carboxylate
CID 71514723
tert-butyl (3R)-3-benzamidopiperidine-1-carboxylate
CID 124562496

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate (CID 22357480) is tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(NC(N)=O)C1.
What is the InChIKey of tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate?
The InChIKey is QEPWCXCCZBAVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-11(2,3)17-10(16)14-6-4-5-8(7-14)13-9(12)15/h8H,4-7H2,1-3H3,(H3,12,13,15).
What are the key properties of tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate?
tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate has a molecular weight of 243.31 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(carbamoylamino)piperidine-1-carboxylate is sourced from PubChem (CID 22357480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).