ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate

C19H26N2O5S — CID 15990562

IUPACethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)C1
InChIInChI=1S/C19H26N2O5S/c1-3-18(22)21-11-9-14-12-16(7-8-17(14)21)27(24,25)20-10-5-6-15(13-20)19(23)26-4-2/h7-8,12,15H,3-6,9-11,13H2,1-2H3
InChIKeyZBZAKCPZQUIEHU-UHFFFAOYSA-N
MW394.49 g/mol
LogP1.95
Rot. Bonds5

About ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate

ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate (PubChem CID 15990562) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate
PubChem CID15990562
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC Nameethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)C1
InChIInChI=1S/C19H26N2O5S/c1-3-18(22)21-11-9-14-12-16(7-8-17(14)21)27(24,25)20-10-5-6-15(13-20)19(23)26-4-2/h7-8,12,15H,3-6,9-11,13H2,1-2H3
InChIKeyZBZAKCPZQUIEHU-UHFFFAOYSA-N
XLogP1.95
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate 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 1-{[4-(acetylamino)phenyl]sulfonyl}piperidine-3-carboxylate
CID 2905048
1-{5-[(2-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}ethan-1-one
CID 3597234
1-(2-Methyl-5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 3673453
1-Acetyl-5-(morpholin-4-ylsulfonyl)indoline
CID 866906
ethyl 1-[(1-methyl-2-oxo-3H-indol-5-yl)sulfonyl]piperidine-4-carboxylate
CID 1510172
4-{5-[(4-methylpiperidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-1-yl}-4-oxobutanoic acid
CID 3244810
2-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl 5-methylsulfonyl-2,3-dihydroindole-1-carboxylate
CID 76310439
1-acetyl-N-(3-methoxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 3243161
ethyl 1-{N-[(2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)sulfonyl]-beta-alanyl}piperidine-3-carboxylate
CID 3237133
1-(Cyclobutylcarbonyl)-5-(piperidin-1-ylsulfonyl)indoline
CID 3238083
1-(Cyclopropylcarbonyl)-5-(morpholin-4-ylsulfonyl)indoline
CID 3240847
N-(3-methoxypropyl)-1-propionylindoline-5-sulfonamide
CID 3241217

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate (CID 15990562) is ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)C1.
What is the InChIKey of ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate?
The InChIKey is ZBZAKCPZQUIEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-3-18(22)21-11-9-14-12-16(7-8-17(14)21)27(24,25)20-10-5-6-15(13-20)19(23)26-4-2/h7-8,12,15H,3-6,9-11,13H2,1-2H3.
What are the key properties of ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate?
ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate has a molecular weight of 394.49 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]piperidine-3-carboxylate is sourced from PubChem (CID 15990562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).