3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione

C16H22N2O2S — CID 64885635

IUPAC3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C2CC2)C(=O)N1Cc1cccs1
InChIInChI=1S/C16H22N2O2S/c1-10(2)8-13-15(19)17-14(11-5-6-11)16(20)18(13)9-12-4-3-7-21-12/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyJEAMSIPDOUAQBA-UHFFFAOYSA-N
MW306.43 g/mol
LogP2.40
Rot. Bonds5

About 3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione

3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (PubChem CID 64885635) has the molecular formula C16H22N2O2S and a molecular weight of 306.43 g/mol. Its IUPAC name is 3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
PubChem CID64885635
Molecular FormulaC16H22N2O2S
Molecular Weight306.43 g/mol
Exact Mass306.14
IUPAC Name3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
SMILESCC(C)CC1C(=O)NC(C2CC2)C(=O)N1Cc1cccs1
InChIInChI=1S/C16H22N2O2S/c1-10(2)8-13-15(19)17-14(11-5-6-11)16(20)18(13)9-12-4-3-7-21-12/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3,(H,17,19)
InChIKeyJEAMSIPDOUAQBA-UHFFFAOYSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-7-methyl-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64883454
3,6-dicyclopropyl-1-(2-thiophen-2-ylethyl)piperazine-2,5-dione
CID 64885638
3-cyclopropyl-6-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64885823
7-methyl-3-(2-methylpropyl)-1-(thiophen-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882972
1-[(5-bromothiophen-2-yl)methyl]-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64885616
3-cyclopropyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64886762
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 69243758
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-(2-methylpropyl)piperazine-2,5-dione
CID 69243594
2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetic acid
CID 141070648
3-cyclopropyl-7-methyl-1-(2-thiophen-2-ylethyl)-1,4-diazepane-2,5-dione
CID 64884033
(7R,9aR)-7-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56858076
6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64880056

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione (CID 64885635) is 3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is CC(C)CC1C(=O)NC(C2CC2)C(=O)N1Cc1cccs1.
What is the InChIKey of 3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
The InChIKey is JEAMSIPDOUAQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2S/c1-10(2)8-13-15(19)17-14(11-5-6-11)16(20)18(13)9-12-4-3-7-21-12/h3-4,7,10-11,13-14H,5-6,8-9H2,1-2H3,(H,17,19).
What are the key properties of 3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione?
3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione has a molecular weight of 306.43 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(2-methylpropyl)-1-(thiophen-2-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 64885635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).