3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione

C16H29N3O2 — CID 64966786

IUPAC3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1C(C)CCN(C)C
InChIInChI=1S/C16H29N3O2/c1-6-13-14(20)17-16(3,12-7-8-12)15(21)19(13)11(2)9-10-18(4)5/h11-13H,6-10H2,1-5H3,(H,17,20)
InChIKeyGIRFCYNEHKWEQL-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.23
Rot. Bonds6

About 3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione

3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione (PubChem CID 64966786) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione
PubChem CID64966786
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C2CC2)C(=O)N1C(C)CCN(C)C
InChIInChI=1S/C16H29N3O2/c1-6-13-14(20)17-16(3,12-7-8-12)15(21)19(13)11(2)9-10-18(4)5/h11-13H,6-10H2,1-5H3,(H,17,20)
InChIKeyGIRFCYNEHKWEQL-UHFFFAOYSA-N
XLogP1.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione with MolForge

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Related Compounds

3-cyclopropyl-6-ethyl-3-methyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958165
3-cyclopropyl-1-(1-cyclopropylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960714
3-cyclopropyl-6-ethyl-1-(1-methoxypentan-2-yl)-3-methylpiperazine-2,5-dione
CID 64972933
3-cyclopropyl-1-heptan-2-yl-3,6-dimethylpiperazine-2,5-dione
CID 64964376
3-cyclopropyl-6-ethyl-1-(3-methoxy-2-methylpropyl)-3-methylpiperazine-2,5-dione
CID 64968620
3-cyclopropyl-6-ethyl-1-(2-ethylsulfonylethyl)-3-methylpiperazine-2,5-dione
CID 106733614
1-(cyclobutylmethyl)-3-cyclopropyl-6-ethyl-3-methylpiperazine-2,5-dione
CID 64960315
3-cyclopropyl-6-ethyl-3-methyl-1-(oxan-4-yl)piperazine-2,5-dione
CID 64960889
3-cyclopropyl-3-methyl-1-(3-methylpentan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64964582
3-cyclopropyl-1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65043459
3-cyclopropyl-1-(2-ethoxyethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 64887283
3-cyclopropyl-6-ethyl-3-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione
CID 64972432

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione (CID 64966786) is 3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C2CC2)C(=O)N1C(C)CCN(C)C.
What is the InChIKey of 3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione?
The InChIKey is GIRFCYNEHKWEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-13-14(20)17-16(3,12-7-8-12)15(21)19(13)11(2)9-10-18(4)5/h11-13H,6-10H2,1-5H3,(H,17,20).
What are the key properties of 3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione?
3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione has a molecular weight of 295.43 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[4-(dimethylamino)butan-2-yl]-6-ethyl-3-methylpiperazine-2,5-dione is sourced from PubChem (CID 64966786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).