2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone

C17H32N4O3S — CID 50950882

IUPAC2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
SMILESCCN1CCC(CC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C17H32N4O3S/c1-2-18-9-5-16(6-10-18)15-17(22)19-11-13-21(14-12-19)25(23,24)20-7-3-4-8-20/h16H,2-15H2,1H3
InChIKeyUMTDFTISTXDWPN-UHFFFAOYSA-N
MW372.54 g/mol
LogP0.59
Rot. Bonds5

About 2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone

2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 50950882) has the molecular formula C17H32N4O3S and a molecular weight of 372.54 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID50950882
Molecular FormulaC17H32N4O3S
Molecular Weight372.54 g/mol
Exact Mass372.22
IUPAC Name2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
SMILESCCN1CCC(CC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)CC1
InChIInChI=1S/C17H32N4O3S/c1-2-18-9-5-16(6-10-18)15-17(22)19-11-13-21(14-12-19)25(23,24)20-7-3-4-8-20/h16H,2-15H2,1H3
InChIKeyUMTDFTISTXDWPN-UHFFFAOYSA-N
XLogP0.59
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone 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-(Piperidine-1-carbonyl)-1-(pyrrolidine-1-sulfonyl)piperidine
CID 4606390
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 3485693
N,N-bis(2-methylpropyl)-4-(piperidine-1-carbonyl)piperidine-1-sulfonamide
CID 5323320
N,N-diethyl-4-(4-methylpiperazine-1-carbonyl)piperidine-1-sulfonamide
CID 3499603
(1-Piperidin-1-ylsulfonylpiperidin-4-yl)-pyrrolidin-1-ylmethanone
CID 3639358
(4-Methylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 3690578
1-piperidin-1-ylsulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 4300938
(3,5-Dimethylpiperidin-1-yl)-(1-pyrrolidin-1-ylsulfonylpiperidin-4-yl)methanone
CID 4400517
[1-(4-Methylpiperidin-1-yl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 5123129
(4-Methylpiperazin-1-yl)-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone
CID 20911367
1-(4-methylpiperidin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 155901062
N-ethyl-N-[2-[ethyl-[2-(1-methylpiperidin-4-yl)acetyl]amino]ethyl]-2-(1-methylpiperidin-4-yl)acetamide
CID 54284932

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone (CID 50950882) is 2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone is CCN1CCC(CC(=O)N2CCN(S(=O)(=O)N3CCCC3)CC2)CC1.
What is the InChIKey of 2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is UMTDFTISTXDWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3S/c1-2-18-9-5-16(6-10-18)15-17(22)19-11-13-21(14-12-19)25(23,24)20-7-3-4-8-20/h16H,2-15H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone?
2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 372.54 g/mol, XLogP of 0.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 50950882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).