tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate

C13H25N3O3 — CID 75457860

IUPACtert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1CCCCN1C(N)=O
InChIInChI=1S/C13H25N3O3/c1-9(15-12(18)19-13(2,3)4)10-7-5-6-8-16(10)11(14)17/h9-10H,5-8H2,1-4H3,(H2,14,17)(H,15,18)
InChIKeyPYWUTOKVGMNZNR-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.83
Rot. Bonds2

About tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate

tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate (PubChem CID 75457860) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate
PubChem CID75457860
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Nametert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate
SMILESCC(NC(=O)OC(C)(C)C)C1CCCCN1C(N)=O
InChIInChI=1S/C13H25N3O3/c1-9(15-12(18)19-13(2,3)4)10-7-5-6-8-16(10)11(14)17/h9-10H,5-8H2,1-4H3,(H2,14,17)(H,15,18)
InChIKeyPYWUTOKVGMNZNR-UHFFFAOYSA-N
XLogP1.83
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-BOC-3-Aminopiperidine
CID 545809
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756482
rac-tert-butyl N-[(3S,5R)-5-{[(tert-butoxy)carbonyl]amino}piperidin-3-yl]carbamate
CID 21103719
tert-butyl N-[(3S)-piperidin-3-yl]carbamate
CID 1514171
Tert-butyl {2-[(cyclohexylcarbamoyl)amino]ethyl}carbamate
CID 11140668
tert-Butyl 4-(3-cyclohexylureido)piperidine-1-carboxylate
CID 53255622
tert-butyl (3R)-3-aminopiperidine-1-carboxylate
CID 1501974
tert-butyl (3S)-3-aminopiperidine-1-carboxylate
CID 1501975
tert-butyl N-(6-methylpiperidin-3-yl)carbamate
CID 42609251
Tert-butyl 4-(4-aminocyclohexyl)piperazine-1-carboxylate
CID 20761836

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate (CID 75457860) is tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate is CC(NC(=O)OC(C)(C)C)C1CCCCN1C(N)=O.
What is the InChIKey of tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate?
The InChIKey is PYWUTOKVGMNZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-9(15-12(18)19-13(2,3)4)10-7-5-6-8-16(10)11(14)17/h9-10H,5-8H2,1-4H3,(H2,14,17)(H,15,18).
What are the key properties of tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate?
tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1-carbamoylpiperidin-2-yl)ethyl]carbamate is sourced from PubChem (CID 75457860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).