N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide

C10H17N3O3 — CID 107529602

IUPACN-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCC(=O)N(C)C1=O
InChIInChI=1S/C10H17N3O3/c1-7(14)11-5-6-12-8-3-4-9(15)13(2)10(8)16/h8,12H,3-6H2,1-2H3,(H,11,14)
InChIKeyIGEOHHHXMRTWTK-UHFFFAOYSA-N
MW227.26 g/mol
LogP-1.14
Rot. Bonds4

About N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide

N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide (PubChem CID 107529602) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide
PubChem CID107529602
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC NameN-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNC1CCC(=O)N(C)C1=O
InChIInChI=1S/C10H17N3O3/c1-7(14)11-5-6-12-8-3-4-9(15)13(2)10(8)16/h8,12H,3-6H2,1-2H3,(H,11,14)
InChIKeyIGEOHHHXMRTWTK-UHFFFAOYSA-N
XLogP-1.14
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-hydroxy-3-methylbutyl)amino]-1-methylpiperidine-2,6-dione
CID 79355575
1-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]triazole-4-carboxylic acid
CID 103255513
3-hydroxy-4-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]butanoic acid
CID 103255545
methyl 2,2-dimethyl-3-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]propanoate
CID 79624186
3-[(2-hydroxy-2-methylbutyl)amino]-1-methylpiperidine-2,6-dione
CID 114493300
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-[2-(3-bromo-2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 63789994
2,2-difluoro-N-(1-methyl-2,6-dioxopiperidin-3-yl)acetamide
CID 103515786
N-[2-(2,3-dihydro-1H-inden-1-ylamino)ethyl]acetamide
CID 43206104
2-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427800
1-tert-butyl-3-(1-methyl-2,6-dioxopiperidin-3-yl)urea
CID 116656521

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide (CID 107529602) is N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide is CC(=O)NCCNC1CCC(=O)N(C)C1=O.
What is the InChIKey of N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide?
The InChIKey is IGEOHHHXMRTWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(14)11-5-6-12-8-3-4-9(15)13(2)10(8)16/h8,12H,3-6H2,1-2H3,(H,11,14).
What are the key properties of N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide?
N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide has a molecular weight of 227.26 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]ethyl]acetamide is sourced from PubChem (CID 107529602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).