1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea

C11H19N3O3 — CID 116656521

IUPAC1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
SMILESCN1C(=O)CCC(NC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C11H19N3O3/c1-11(2,3)13-10(17)12-7-5-6-8(15)14(4)9(7)16/h7H,5-6H2,1-4H3,(H2,12,13,17)
InChIKeyHLZJZWOPBWXNLV-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.23
Rot. Bonds1

About 1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea

1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea (PubChem CID 116656521) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
PubChem CID116656521
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
SMILESCN1C(=O)CCC(NC(=O)NC(C)(C)C)C1=O
InChIInChI=1S/C11H19N3O3/c1-11(2,3)13-10(17)12-7-5-6-8(15)14(4)9(7)16/h7H,5-6H2,1-4H3,(H2,12,13,17)
InChIKeyHLZJZWOPBWXNLV-UHFFFAOYSA-N
XLogP0.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
1-tert-butyl-3-(1-methyl-6-oxopiperidin-3-yl)urea
CID 115693464
2-methyl-N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-morpholin-4-ylpropanamide
CID 128895113
1-[[(1R,2S)-2-hydroxycyclohexyl]methyl]-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 128915358
2-methyl-4-[(1-methyl-2,6-dioxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 80540995
N-(1-methyl-2,6-dioxopiperidin-3-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261283
2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427800
1-(cyclohexen-1-ylmethyl)-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 128907850
methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate
CID 79624186
3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione
CID 79355575
3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione
CID 114493300
tert-butyl N-[3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]cyclopentyl]carbamate
CID 103719952

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
The IUPAC name of 1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea (CID 116656521) is 1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea.
What is the SMILES notation for 1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
The canonical SMILES for 1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea is CN1C(=O)CCC(NC(=O)NC(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
The InChIKey is HLZJZWOPBWXNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-11(2,3)13-10(17)12-7-5-6-8(15)14(4)9(7)16/h7H,5-6H2,1-4H3,(H2,12,13,17).
What are the key properties of 1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea?
1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea has a molecular weight of 241.29 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea is sourced from PubChem (CID 116656521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).