1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

C14H19ClN2O2S — CID 64902675

IUPAC1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(Cc2ccc(Cl)s2)C1=O
InChIInChI=1S/C14H19ClN2O2S/c1-8(2)6-11-14(19)17(9(3)13(18)16-11)7-10-4-5-12(15)20-10/h4-5,8-9,11H,6-7H2,1-3H3,(H,16,18)
InChIKeyYAYIVECVZXPFLJ-UHFFFAOYSA-N
MW314.84 g/mol
LogP2.66
Rot. Bonds4

About 1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64902675) has the molecular formula C14H19ClN2O2S and a molecular weight of 314.84 g/mol. Its IUPAC name is 1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64902675
Molecular FormulaC14H19ClN2O2S
Molecular Weight314.84 g/mol
Exact Mass314.09
IUPAC Name1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(Cc2ccc(Cl)s2)C1=O
InChIInChI=1S/C14H19ClN2O2S/c1-8(2)6-11-14(19)17(9(3)13(18)16-11)7-10-4-5-12(15)20-10/h4-5,8-9,11H,6-7H2,1-3H3,(H,16,18)
InChIKeyYAYIVECVZXPFLJ-UHFFFAOYSA-N
XLogP2.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.84
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-chlorothiophen-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 106045989
1-[(4-bromothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64901145
1-[(5-chlorothiophen-2-yl)methyl]-3-ethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64903182
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
6-methyl-3-(2-methylpropyl)-1-[(3-methyl-4-pyridinyl)methyl]piperazine-2,5-dione
CID 114702109
1-[(5-chlorothiophen-2-yl)methyl]-6-cyclopropyl-3-ethylpiperazine-2,5-dione
CID 64901467
1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964778
6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
CID 83146598
1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 106376914
1-[(5-ethylthiophen-2-yl)methyl]-3,6-dimethylpiperazine-2,5-dione
CID 64875250
1-(cyclobutylmethyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960282
1-(2,5-dichlorophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64961786

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 64902675) is 1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)N(Cc2ccc(Cl)s2)C1=O.
What is the InChIKey of 1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is YAYIVECVZXPFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2S/c1-8(2)6-11-14(19)17(9(3)13(18)16-11)7-10-4-5-12(15)20-10/h4-5,8-9,11H,6-7H2,1-3H3,(H,16,18).
What are the key properties of 1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 314.84 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiophen-2-yl)methyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64902675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).