6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione

C14H18N2O2S — CID 64879360

IUPAC6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1CCc1ccsc1
InChIInChI=1S/C14H18N2O2S/c1-14(11-2-3-11)13(18)15-8-12(17)16(14)6-4-10-5-7-19-9-10/h5,7,9,11H,2-4,6,8H2,1H3,(H,15,18)
InChIKeyKYONYGRCVZJXBL-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.42
Rot. Bonds4

About 6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione

6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (PubChem CID 64879360) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
PubChem CID64879360
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1CCc1ccsc1
InChIInChI=1S/C14H18N2O2S/c1-14(11-2-3-11)13(18)15-8-12(17)16(14)6-4-10-5-7-19-9-10/h5,7,9,11H,2-4,6,8H2,1H3,(H,15,18)
InChIKeyKYONYGRCVZJXBL-UHFFFAOYSA-N
XLogP1.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64881292
6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64902965
6-cyclopropyl-3-ethyl-6-methyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64902641
3-cyclopropyl-3,6-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64886515
6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879937
6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64881486
6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879939
6-ethyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione
CID 64878701
3-cyclopropyl-3,7-dimethyl-1-(2-thiophen-3-ylethyl)-1,4-diazepane-2,5-dione
CID 64881675
6-cyclopropyl-6-methyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902417
1-[(E)-but-2-enyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 107898411
3,3-dimethyl-1-(2-thiophen-3-ylethyl)piperazine-2,6-dione
CID 66068855

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione (CID 64879360) is 6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is CC1(C2CC2)C(=O)NCC(=O)N1CCc1ccsc1.
What is the InChIKey of 6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
The InChIKey is KYONYGRCVZJXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-14(11-2-3-11)13(18)15-8-12(17)16(14)6-4-10-5-7-19-9-10/h5,7,9,11H,2-4,6,8H2,1H3,(H,15,18).
What are the key properties of 6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione?
6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione has a molecular weight of 278.38 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-6-methyl-1-(2-thiophen-3-ylethyl)piperazine-2,5-dione is sourced from PubChem (CID 64879360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).