tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate

C12H23N3O3 — CID 50986488

IUPACtert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC(N)CC1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-8-10(16)15-6-4-9(13)5-7-15/h9H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyHRYQVLSMFNNWBI-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.46
Rot. Bonds2

About tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate

tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate (PubChem CID 50986488) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate
PubChem CID50986488
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nametert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1CCC(N)CC1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-8-10(16)15-6-4-9(13)5-7-15/h9H,4-8,13H2,1-3H3,(H,14,17)
InChIKeyHRYQVLSMFNNWBI-UHFFFAOYSA-N
XLogP0.46
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl 4-(methylamino)piperidine-1-carboxylate
CID 15380702
4-Amino-1-Boc-piperidine
CID 1268291
1-BOC-3-Aminopiperidine
CID 545809
4-(N-Boc-amino)piperidine
CID 723833
(3R)-3-Aminopiperidine, 3-BOC protected
CID 1514172
3-(Boc-amino)piperidine
CID 4233041
tert-Butyl 2-(aminomethyl)piperidine-1-carboxylate
CID 2756482
4-N-Boc-4-N-Methyl-aminopiperidine
CID 2756806
tert-Butyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 2769591
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 3-oxopiperazine-1-carboxylate
CID 3157178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate (CID 50986488) is tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1CCC(N)CC1.
What is the InChIKey of tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate?
The InChIKey is HRYQVLSMFNNWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)18-11(17)14-8-10(16)15-6-4-9(13)5-7-15/h9H,4-8,13H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate has a molecular weight of 257.33 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 50986488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).