4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide

C17H24N2OS2 — CID 17449412

IUPAC4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide
SMILESCCN1CCC(NC(=O)c2ccc(C3SCCS3)cc2)CC1
InChIInChI=1S/C17H24N2OS2/c1-2-19-9-7-15(8-10-19)18-16(20)13-3-5-14(6-4-13)17-21-11-12-22-17/h3-6,15,17H,2,7-12H2,1H3,(H,18,20)
InChIKeyNBPDDRLCZBRVSZ-UHFFFAOYSA-N
MW336.53 g/mol
LogP3.38
Rot. Bonds4

About 4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide

4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide (PubChem CID 17449412) has the molecular formula C17H24N2OS2 and a molecular weight of 336.53 g/mol. Its IUPAC name is 4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide
PubChem CID17449412
Molecular FormulaC17H24N2OS2
Molecular Weight336.53 g/mol
Exact Mass336.13
IUPAC Name4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide
SMILESCCN1CCC(NC(=O)c2ccc(C3SCCS3)cc2)CC1
InChIInChI=1S/C17H24N2OS2/c1-2-19-9-7-15(8-10-19)18-16(20)13-3-5-14(6-4-13)17-21-11-12-22-17/h3-6,15,17H,2,7-12H2,1H3,(H,18,20)
InChIKeyNBPDDRLCZBRVSZ-UHFFFAOYSA-N
XLogP3.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide 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

ethyl 4-[[4-(1,3-dithiolan-2-yl)benzoyl]amino]piperidine-1-carboxylate
CID 31843166
4-cyano-N-(1-ethylpiperidin-4-yl)benzamide
CID 9091097
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
4-(1,3-dithian-2-yl)-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999696
N-(1-ethylpiperidin-4-yl)-3,4-dimethylbenzamide
CID 17249701
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
3,5-dibromo-N-(1-ethylpiperidin-4-yl)benzamide
CID 103907480
N-(1-ethylpiperidin-4-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9091107
N-[4-[(1-ethylpiperidin-4-yl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 30134734
N-(1-ethylpiperidin-4-yl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998614
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
CID 28620099
N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
CID 30768194

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide (CID 17449412) is 4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide is CCN1CCC(NC(=O)c2ccc(C3SCCS3)cc2)CC1.
What is the InChIKey of 4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide?
The InChIKey is NBPDDRLCZBRVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS2/c1-2-19-9-7-15(8-10-19)18-16(20)13-3-5-14(6-4-13)17-21-11-12-22-17/h3-6,15,17H,2,7-12H2,1H3,(H,18,20).
What are the key properties of 4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide?
4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide has a molecular weight of 336.53 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiolan-2-yl)-N-(1-ethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 17449412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).