4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide

C19H23N3O3S — CID 24616441

IUPAC4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(20-18-7-3-5-15-4-1-2-6-17(15)18)22-11-9-21(10-12-22)16-8-13-26(24,25)14-16/h1-7,16H,8-14H2,(H,20,23)
InChIKeyJRSZUFJTNJGBNP-UHFFFAOYSA-N
MW373.48 g/mol
LogP2.18
Rot. Bonds2

About 4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide

4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide (PubChem CID 24616441) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide
PubChem CID24616441
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide
SMILESO=C(Nc1cccc2ccccc12)N1CCN(C2CCS(=O)(=O)C2)CC1
InChIInChI=1S/C19H23N3O3S/c23-19(20-18-7-3-5-15-4-1-2-6-17(15)18)22-11-9-21(10-12-22)16-8-13-26(24,25)14-16/h1-7,16H,8-14H2,(H,20,23)
InChIKeyJRSZUFJTNJGBNP-UHFFFAOYSA-N
XLogP2.18
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-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-cyclopropyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 51096006
(8aR)-N-naphthalen-1-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 757117
ethyl 2-[[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]amino]benzoate
CID 113109673
N-benzyl-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 24664554
N-(2,6-difluorophenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109678
4-(1,1-dioxothiolan-3-yl)-N-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113109677
methyl 4-(naphthalen-1-ylcarbamoyl)piperazine-1-carboxylate
CID 108884718
4-formyl-N-naphthalen-1-ylpiperazine-1-carboxamide
CID 3736870
N-(4-acetylphenyl)-4-(1,1-dioxothiolan-3-yl)piperazine-1-carboxamide
CID 113109653
4-(1,1-dioxothiolan-3-yl)-N-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108379
3-hydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 62918134
(3S,4R)-3,4-dihydroxy-N-naphthalen-1-ylpyrrolidine-1-carboxamide
CID 79411310

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide?
The IUPAC name of 4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide (CID 24616441) is 4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide is O=C(Nc1cccc2ccccc12)N1CCN(C2CCS(=O)(=O)C2)CC1.
What is the InChIKey of 4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide?
The InChIKey is JRSZUFJTNJGBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c23-19(20-18-7-3-5-15-4-1-2-6-17(15)18)22-11-9-21(10-12-22)16-8-13-26(24,25)14-16/h1-7,16H,8-14H2,(H,20,23).
What are the key properties of 4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide?
4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide has a molecular weight of 373.48 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiolan-3-yl)-N-naphthalen-1-ylpiperazine-1-carboxamide is sourced from PubChem (CID 24616441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).