4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide

C14H17N3O3 — CID 166077676

IUPAC4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide
SMILESCC1=C(N)CC=CC(C(=O)N[C@@H]2CCC(=O)NC2=O)=C1
InChIInChI=1S/C14H17N3O3/c1-8-7-9(3-2-4-10(8)15)13(19)16-11-5-6-12(18)17-14(11)20/h2-3,7,11H,4-6,15H2,1H3,(H,16,19)(H,17,18,20)/t11-/m1/s1
InChIKeyKATKTEQDMZCUFG-LLVKDONJSA-N
MW275.31 g/mol
LogP0.03
Rot. Bonds2

About 4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide

4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 166077676) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide
PubChem CID166077676
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide
SMILESCC1=C(N)CC=CC(C(=O)N[C@@H]2CCC(=O)NC2=O)=C1
InChIInChI=1S/C14H17N3O3/c1-8-7-9(3-2-4-10(8)15)13(19)16-11-5-6-12(18)17-14(11)20/h2-3,7,11H,4-6,15H2,1H3,(H,16,19)(H,17,18,20)/t11-/m1/s1
InChIKeyKATKTEQDMZCUFG-LLVKDONJSA-N
XLogP0.03
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166078027
5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide
CID 170003318
5-amino-N-(2,6-dioxopiperidin-3-yl)-2-fluoro-3-methylbenzamide
CID 103296597
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
4-amino-N-(2,6-dioxopiperidin-3-yl)-3,6-difluorocyclohepta-1,4,6-triene-1-carboxamide;tungsten
CID 171846820
N-(2,6-dioxopiperidin-3-yl)-1H-imidazole-5-carboxamide
CID 110475285
N-[(3S)-2,6-dioxopiperidin-3-yl]pyrimidine-2-carboxamide
CID 156797860
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide
CID 171846944
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-hydroxybenzamide
CID 141087093
4-chloro-N-[(3R)-2,6-dioxopiperidin-3-yl]benzamide
CID 2363882

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of 4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide (CID 166077676) is 4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for 4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for 4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide is CC1=C(N)CC=CC(C(=O)N[C@@H]2CCC(=O)NC2=O)=C1.
What is the InChIKey of 4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is KATKTEQDMZCUFG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8-7-9(3-2-4-10(8)15)13(19)16-11-5-6-12(18)17-14(11)20/h2-3,7,11H,4-6,15H2,1H3,(H,16,19)(H,17,18,20)/t11-/m1/s1.
What are the key properties of 4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide?
4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 166077676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).