tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate

C11H22N4O3 — CID 107237122

IUPACtert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1CCN(C(N)=O)CC1
InChIInChI=1S/C11H22N4O3/c1-11(2,3)18-10(17)14-13-8-4-6-15(7-5-8)9(12)16/h8,13H,4-7H2,1-3H3,(H2,12,16)(H,14,17)
InChIKeyAMIABENCINCGGV-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.56
Rot. Bonds2

About tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate

tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate (PubChem CID 107237122) has the molecular formula C11H22N4O3 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate
PubChem CID107237122
Molecular FormulaC11H22N4O3
Molecular Weight258.32 g/mol
Exact Mass258.17
IUPAC Nametert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate
SMILESCC(C)(C)OC(=O)NNC1CCN(C(N)=O)CC1
InChIInChI=1S/C11H22N4O3/c1-11(2,3)18-10(17)14-13-8-4-6-15(7-5-8)9(12)16/h8,13H,4-7H2,1-3H3,(H2,12,16)(H,14,17)
InChIKeyAMIABENCINCGGV-UHFFFAOYSA-N
XLogP0.56
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-Butyl 4-hydrazinylpiperidine-1-carboxylate hydrochloride
CID 56965815
Tert-butyl 4-((hydrazinecarbonyl)amino)piperidine-1-carboxylate
CID 54593171
Tert-butyl 3-hydrazinylpiperidine-1-carboxylate
CID 49758089
Tert-butyl 4-hydrazinylpiperidine-1-carboxylate
CID 56965816
tert-butyl N'-[1-(2,2,2-trifluoro-acetyl)-piperidin-4-yl]-hydrazine-carboxylate
CID 86605021
Tert-butyl 3-fluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate
CID 89924208
Tert-butyl 4-(2-(tert-butoxycarbonyl)hydrazineyl)-3,3-difluoropiperidine-1-carboxylate
CID 89924497
tert-butyl (4S)-3,3-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate
CID 139536073
Tert-butyl 3,5-difluoro-4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]piperidine-1-carboxylate
CID 168964411
tert-butyl (3S)-3-fluoro-4-(2-methylhydrazinyl)piperidine-1-carboxylate
CID 170194480
tert-butyl N-ethyl-N-(piperidine-1-carbonylamino)carbamate
CID 15073142
tert-butyl N-[ethyl(piperidine-1-carbonyl)amino]carbamate
CID 15073144

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate?
The IUPAC name of tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate (CID 107237122) is tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate is CC(C)(C)OC(=O)NNC1CCN(C(N)=O)CC1.
What is the InChIKey of tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate?
The InChIKey is AMIABENCINCGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O3/c1-11(2,3)18-10(17)14-13-8-4-6-15(7-5-8)9(12)16/h8,13H,4-7H2,1-3H3,(H2,12,16)(H,14,17).
What are the key properties of tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate?
tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate has a molecular weight of 258.32 g/mol, XLogP of 0.56, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate is sourced from PubChem (CID 107237122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).