tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate

C10H16N2O4 — CID 11310728

IUPACtert-butyl N-(2,6-dioxopiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-10(2,3)16-9(15)11-6-4-5-7(13)12-8(6)14/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13,14)
InChIKeyTUGRLMXVKASPTN-UHFFFAOYSA-N
MW228.24 g/mol
LogP0.20
Rot. Bonds3

About tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate

tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate (PubChem CID 11310728) has the molecular formula C10H16N2O4 and a molecular weight of 228.24 g/mol. Its IUPAC name is tert-butyl N-(2,6-dioxopiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-Butyl (2,6-dioxopiperidin-3-yl)carbamate
PubChem CID11310728
Molecular FormulaC10H16N2O4
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Nametert-butyl N-(2,6-dioxopiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C10H16N2O4/c1-10(2,3)16-9(15)11-6-4-5-7(13)12-8(6)14/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13,14)
InChIKeyTUGRLMXVKASPTN-UHFFFAOYSA-N
XLogP0.20
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity319

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(S)-N-(2,6-Dioxopiperidin-3-yl)pentanamide
CID 10965828
3-tert-Butyloxycarbonylamino-2-piperidone
CID 124787
tert-butyl N-[1-[(1-amino-1-oxopropan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 3103034
butyl N-[(3S)-2,6-dioxopiperidin-3-yl]carbamate
CID 44347851
(R)-tert-butyl 2-oxopiperidin-3-ylcarbamate
CID 45092193
Tert-butyl (1-methyl-2,6-dioxopiperidin-3-yl)carbamate
CID 18335022
2-(3-(((Tert-butoxy)carbonyl)amino)-2-oxopiperidin-1-yl)acetic acid
CID 19352050
tert-butyl N-(2-oxopiperidin-3-yl)carbamate
CID 21260262
tert-butyl N-[(3R)-2,6-dioxopiperidin-3-yl]carbamate
CID 34178804
tert-butyl N-(6-oxopiperidin-3-yl)carbamate
CID 57415846
N-(4-Piperidinyl)-2-(Boc-amino)acetamide
CID 69163615
tert-butyl (2S)-2-butan-2-yl-3-oxopiperazine-1-carboxylate
CID 44350328

Frequently Asked Questions

What is the IUPAC name of tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate?
The IUPAC name of tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate (CID 11310728) is tert-butyl N-(2,6-dioxopiperidin-3-yl)carbamate.
What is the SMILES notation for tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate?
The canonical SMILES for tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate?
The InChIKey is TUGRLMXVKASPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(2,3)16-9(15)11-6-4-5-7(13)12-8(6)14/h6H,4-5H2,1-3H3,(H,11,15)(H,12,13,14).
What are the key properties of tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate?
tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate has a molecular weight of 228.24 g/mol, XLogP of 0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-Butyl (2,6-dioxopiperidin-3-yl)carbamate is sourced from PubChem (CID 11310728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).