1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one

C13H19ClN2OS — CID 114139676

IUPAC1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one
SMILESCCNC1CCCN(CCc2ccc(Cl)s2)C1=O
InChIInChI=1S/C13H19ClN2OS/c1-2-15-11-4-3-8-16(13(11)17)9-7-10-5-6-12(14)18-10/h5-6,11,15H,2-4,7-9H2,1H3
InChIKeyPTKLCPLOFZBUOV-UHFFFAOYSA-N
MW286.83 g/mol
LogP2.54
Rot. Bonds5

About 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one (PubChem CID 114139676) has the molecular formula C13H19ClN2OS and a molecular weight of 286.83 g/mol. Its IUPAC name is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one.

Molecular Properties

Compound Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one
PubChem CID114139676
Molecular FormulaC13H19ClN2OS
Molecular Weight286.83 g/mol
Exact Mass286.09
IUPAC Name1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one
SMILESCCNC1CCCN(CCc2ccc(Cl)s2)C1=O
InChIInChI=1S/C13H19ClN2OS/c1-2-15-11-4-3-8-16(13(11)17)9-7-10-5-6-12(14)18-10/h5-6,11,15H,2-4,7-9H2,1H3
InChIKeyPTKLCPLOFZBUOV-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.83
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one 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

1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106039892
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(propylamino)piperidin-2-one
CID 106039918
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(cyclopropylamino)pyrrolidin-2-one
CID 106039908
3-(ethylamino)-1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-2-one
CID 62054329
1-[1-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)pyrrolidin-2-one
CID 54973377
3-(ethylamino)-1-(1,2-oxazol-5-ylmethyl)piperidin-2-one
CID 106421364
3-(ethylamino)-1-[(1-hydroxycycloheptyl)methyl]piperidin-2-one
CID 65122174
3-(ethylamino)-1-(4-propan-2-yloxybutyl)piperidin-2-one
CID 106008612
3-[2-(5-chlorothiophen-2-yl)ethylamino]-1-cyclopropylpyrrolidine-2,5-dione
CID 106044348
3-(ethylamino)-1-(1,2,4-oxadiazol-3-ylmethyl)piperidin-2-one
CID 106408300
3-(ethylamino)-1-(4-hydroxy-2-methylbutyl)piperidin-2-one
CID 66108454
1-(2,3-dihydro-1H-inden-2-yl)-3-(ethylamino)piperidin-2-one
CID 107849751

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one?
The IUPAC name of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one (CID 114139676) is 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one.
What is the SMILES notation for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one?
The canonical SMILES for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one is CCNC1CCCN(CCc2ccc(Cl)s2)C1=O.
What is the InChIKey of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one?
The InChIKey is PTKLCPLOFZBUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2OS/c1-2-15-11-4-3-8-16(13(11)17)9-7-10-5-6-12(14)18-10/h5-6,11,15H,2-4,7-9H2,1H3.
What are the key properties of 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one?
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one has a molecular weight of 286.83 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chlorothiophen-2-yl)ethyl]-3-(ethylamino)piperidin-2-one is sourced from PubChem (CID 114139676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).