4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide

C18H25N3O4 — CID 171846944

IUPAC4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide
SMILESCC(C)OC1=CC(C(=O)NC2CCC(=O)NC2=O)=CCC(N(C)C)=C1
InChIInChI=1S/C18H25N3O4/c1-11(2)25-14-9-12(5-6-13(10-14)21(3)4)17(23)19-15-7-8-16(22)20-18(15)24/h5,9-11,15H,6-8H2,1-4H3,(H,19,23)(H,20,22,24)
InChIKeyWZMPQLHKTLESRE-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.99
Rot. Bonds5

About 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide

4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide (PubChem CID 171846944) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide
PubChem CID171846944
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide
SMILESCC(C)OC1=CC(C(=O)NC2CCC(=O)NC2=O)=CCC(N(C)C)=C1
InChIInChI=1S/C18H25N3O4/c1-11(2)25-14-9-12(5-6-13(10-14)21(3)4)17(23)19-15-7-8-16(22)20-18(15)24/h5,9-11,15H,6-8H2,1-4H3,(H,19,23)(H,20,22,24)
InChIKeyWZMPQLHKTLESRE-UHFFFAOYSA-N
XLogP0.99
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-methoxycyclohepta-1,3,6-triene-1-carboxamide
CID 171846872
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide
CID 166077673
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-2,6-difluorocyclohepta-1,3,6-triene-1-carboxamide;tungsten
CID 166077672
4-amino-N-[(3R)-2,6-dioxopiperidin-3-yl]-3-methylcyclohepta-1,3,6-triene-1-carboxamide
CID 166077676
N-(2,6-dioxopiperidin-3-yl)-3-methylcyclohexa-1,5-diene-1-carboxamide
CID 166078027
N-[(3S)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 175838749
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-methoxybenzamide
CID 165380137
5-tert-butyl-N-(2,6-dioxopiperidin-3-yl)cyclohepta-1,3,6-triene-1-carboxamide
CID 170003318
N-(2,6-dioxopiperidin-3-yl)-2-sulfanylpropanamide
CID 107031614
N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 156866709
2-acetyl-N-(2,6-dioxopiperidin-3-yl)benzamide;ethane
CID 144714237
methyl 3-[(2,6-dioxopiperidin-3-yl)carbamoyl]benzoate
CID 146129215

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide (CID 171846944) is 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide is CC(C)OC1=CC(C(=O)NC2CCC(=O)NC2=O)=CCC(N(C)C)=C1.
What is the InChIKey of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide?
The InChIKey is WZMPQLHKTLESRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-11(2)25-14-9-12(5-6-13(10-14)21(3)4)17(23)19-15-7-8-16(22)20-18(15)24/h5,9-11,15H,6-8H2,1-4H3,(H,19,23)(H,20,22,24).
What are the key properties of 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide?
4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 0.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-(2,6-dioxopiperidin-3-yl)-6-propan-2-yloxycyclohepta-1,4,6-triene-1-carboxamide is sourced from PubChem (CID 171846944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).