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

C11H15ClN2OS — CID 62093216

IUPAC3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c1-7(9-4-5-10(12)16-9)14-8-3-2-6-13-11(8)15/h4-5,7-8,14H,2-3,6H2,1H3,(H,13,15)
InChIKeyDDVMQLUJQIKORM-UHFFFAOYSA-N
MW258.77 g/mol
LogP2.33
Rot. Bonds3

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

3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one (PubChem CID 62093216) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one.

Molecular Properties

Compound Name3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one
PubChem CID62093216
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c1-7(9-4-5-10(12)16-9)14-8-3-2-6-13-11(8)15/h4-5,7-8,14H,2-3,6H2,1H3,(H,13,15)
InChIKeyDDVMQLUJQIKORM-UHFFFAOYSA-N
XLogP2.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]azepan-2-one
CID 81354601
5-chloro-N-[(3R)-2-oxopiperidin-3-yl]thiophene-2-carboxamide
CID 95048356
3-(1-pyridin-4-ylethylamino)piperidin-2-one
CID 62094103
3-(1-cyclopropylethylamino)piperidin-2-one
CID 62092290
3-[1-(3,4-dichlorophenyl)ethylamino]azepan-2-one
CID 43234796
3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one
CID 55033727
3-[1-(4-methoxyphenyl)ethylamino]piperidin-2-one
CID 62092478
3-[1-(5-chlorothiophen-2-yl)ethylamino]-1-methylpyrrolidine-2,5-dione
CID 54955058
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]azepan-2-one
CID 81360127
3-[1-(4-chloro-3-fluorophenyl)ethylamino]azepan-2-one
CID 82888994
3-[1-(4-bromo-2-chlorophenyl)ethylamino]azepan-2-one
CID 82774186
3-(1-naphthalen-1-ylethylamino)piperidin-2-one
CID 62094476

Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one?
The IUPAC name of 3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one (CID 62093216) is 3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one.
What is the SMILES notation for 3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one?
The canonical SMILES for 3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one is CC(NC1CCCNC1=O)c1ccc(Cl)s1.
What is the InChIKey of 3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one?
The InChIKey is DDVMQLUJQIKORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-7(9-4-5-10(12)16-9)14-8-3-2-6-13-11(8)15/h4-5,7-8,14H,2-3,6H2,1H3,(H,13,15).
What are the key properties of 3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one?
3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one has a molecular weight of 258.77 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one is sourced from PubChem (CID 62093216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).