1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide

C15H17N3O3 — CID 167164739

IUPAC1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide
SMILESNc1cccc(C2(C(=O)NC3CCC(=O)NC3=O)CC2)c1
InChIInChI=1S/C15H17N3O3/c16-10-3-1-2-9(8-10)15(6-7-15)14(21)17-11-4-5-12(19)18-13(11)20/h1-3,8,11H,4-7,16H2,(H,17,21)(H,18,19,20)
InChIKeyJSUJBIKXQCSIOM-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.22
Rot. Bonds3

About 1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide

1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide (PubChem CID 167164739) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide
PubChem CID167164739
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide
SMILESNc1cccc(C2(C(=O)NC3CCC(=O)NC3=O)CC2)c1
InChIInChI=1S/C15H17N3O3/c16-10-3-1-2-9(8-10)15(6-7-15)14(21)17-11-4-5-12(19)18-13(11)20/h1-3,8,11H,4-7,16H2,(H,17,21)(H,18,19,20)
InChIKeyJSUJBIKXQCSIOM-UHFFFAOYSA-N
XLogP0.22
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminoanilino)piperidine-2,6-dione;dichloromethane
CID 169082326
1-(4-aminophenyl)-N-[(4R)-3-oxo-1,2-oxazolidin-4-yl]cyclopropane-1-carboxamide
CID 103930601
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
N-(2,6-dioxopiperidin-3-yl)-3-phenylbenzamide
CID 138467355
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
3-(3-hydroxyanilino)piperidine-2,6-dione
CID 170904961
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215
3-[3-[4-(4-aminophenyl)piperazin-1-yl]anilino]piperidine-2,6-dione
CID 171098642
2-(4-chlorophenyl)-N-[(3S)-2,6-dioxopiperidin-3-yl]acetamide
CID 110186635
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 154591725
5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296597

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide (CID 167164739) is 1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide is Nc1cccc(C2(C(=O)NC3CCC(=O)NC3=O)CC2)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is JSUJBIKXQCSIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-10-3-1-2-9(8-10)15(6-7-15)14(21)17-11-4-5-12(19)18-13(11)20/h1-3,8,11H,4-7,16H2,(H,17,21)(H,18,19,20).
What are the key properties of 1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide?
1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(2,6-dioxopiperidin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167164739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).