6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione

C16H28N2O2 — CID 64885975

IUPAC6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(CC)(CC)C(=O)N1CC1CC1
InChIInChI=1S/C16H28N2O2/c1-5-11(4)13-14(19)17-16(6-2,7-3)15(20)18(13)10-12-8-9-12/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyRLOLWHPMIXNFSM-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.33
Rot. Bonds6

About 6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione

6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione (PubChem CID 64885975) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
PubChem CID64885975
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(CC)(CC)C(=O)N1CC1CC1
InChIInChI=1S/C16H28N2O2/c1-5-11(4)13-14(19)17-16(6-2,7-3)15(20)18(13)10-12-8-9-12/h11-13H,5-10H2,1-4H3,(H,17,19)
InChIKeyRLOLWHPMIXNFSM-UHFFFAOYSA-N
XLogP2.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64901588
5-butan-2-yl-1-(cyclopropylmethyl)-4-iminoimidazolidin-2-one
CID 138389691
6-butan-2-yl-1-(cyclopentylmethyl)-3-cyclopropylpiperazine-2,5-dione
CID 64886009
6-butan-2-yl-3-cyclopropyl-1-ethyl-3-methylpiperazine-2,5-dione
CID 64887094
1-(cyclohexylmethyl)-3-ethyl-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64901759
1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione
CID 64882149
1-(2,2-dimethylbutyl)-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 103465427
6-butan-2-yl-3-cyclopropyl-1-(2-ethoxyethyl)-3-methylpiperazine-2,5-dione
CID 64887477
3,3,6-triethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64886924
3,3-diethyl-1-pent-3-ynyl-6-propan-2-ylpiperazine-2,5-dione
CID 116645652
4-(cyclobutylmethyl)-3-propan-2-yl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64960350
1-tert-butyl-3,3-diethyl-6-propan-2-ylpiperazine-2,5-dione
CID 64955313

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione (CID 64885975) is 6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione is CCC(C)C1C(=O)NC(CC)(CC)C(=O)N1CC1CC1.
What is the InChIKey of 6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione?
The InChIKey is RLOLWHPMIXNFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-11(4)13-14(19)17-16(6-2,7-3)15(20)18(13)10-12-8-9-12/h11-13H,5-10H2,1-4H3,(H,17,19).
What are the key properties of 6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione?
6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione has a molecular weight of 280.41 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-(cyclopropylmethyl)-3,3-diethylpiperazine-2,5-dione is sourced from PubChem (CID 64885975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).