4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one

C10H11ClN2O2S — CID 171677198

IUPAC4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ccsc1Cl
InChIInChI=1S/C10H11ClN2O2S/c1-6-9(14)12-3-4-13(6)10(15)7-2-5-16-8(7)11/h2,5-6H,3-4H2,1H3,(H,12,14)
InChIKeyCQSRBJJRYRXSAH-UHFFFAOYSA-N
MW258.73 g/mol
LogP1.36
Rot. Bonds1

About 4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one

4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one (PubChem CID 171677198) has the molecular formula C10H11ClN2O2S and a molecular weight of 258.73 g/mol. Its IUPAC name is 4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one
PubChem CID171677198
Molecular FormulaC10H11ClN2O2S
Molecular Weight258.73 g/mol
Exact Mass258.02
IUPAC Name4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1C(=O)c1ccsc1Cl
InChIInChI=1S/C10H11ClN2O2S/c1-6-9(14)12-3-4-13(6)10(15)7-2-5-16-8(7)11/h2,5-6H,3-4H2,1H3,(H,12,14)
InChIKeyCQSRBJJRYRXSAH-UHFFFAOYSA-N
XLogP1.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.73
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-4-(2-chlorobenzoyl)-3-methylpiperazin-2-one
CID 25283883
(3S)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 25283897
4-(4-chloro-2-methylbenzoyl)-3-methylpiperazin-2-one
CID 103779351
4-(2,3-difluorobenzoyl)-3-methylpiperazin-2-one
CID 63373788
3-methyl-4-(2-methylfuran-3-carbonyl)piperazin-2-one
CID 63373484
4-(3,5-dichloro-2-iodobenzoyl)-3-methylpiperazin-2-one
CID 63606222
4-(4-chloro-2-nitrobenzoyl)-3-methylpiperazin-2-one
CID 63080255
4-(3-hydroxypyridine-2-carbonyl)-3-methylpiperazin-2-one
CID 63607605
3-methyl-4-[3-(methylamino)-2-nitrobenzoyl]piperazin-2-one
CID 115549047
4-(4-amino-2-fluorobenzoyl)-3-methylpiperazin-2-one
CID 63596987
4-(3-fluoro-2-hydrazinylpyridine-4-carbonyl)-3-methylpiperazin-2-one
CID 105388346
4-(2-hydroxy-3,5-diiodobenzoyl)-3-methylpiperazin-2-one
CID 55217673

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one (CID 171677198) is 4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one is CC1C(=O)NCCN1C(=O)c1ccsc1Cl.
What is the InChIKey of 4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one?
The InChIKey is CQSRBJJRYRXSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2S/c1-6-9(14)12-3-4-13(6)10(15)7-2-5-16-8(7)11/h2,5-6H,3-4H2,1H3,(H,12,14).
What are the key properties of 4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one?
4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one has a molecular weight of 258.73 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorothiophene-3-carbonyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 171677198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).