6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione

C17H22N2O2 — CID 64901986

IUPAC6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(Cc2ccccc2)N(CC2CC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-17(2)16(21)19(11-13-8-9-13)14(15(20)18-17)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,18,20)
InChIKeyVCZNNVRZYHZASC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.74
Rot. Bonds4

About 6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione

6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64901986) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID64901986
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)C(Cc2ccccc2)N(CC2CC2)C1=O
InChIInChI=1S/C17H22N2O2/c1-17(2)16(21)19(11-13-8-9-13)14(15(20)18-17)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,18,20)
InChIKeyVCZNNVRZYHZASC-UHFFFAOYSA-N
XLogP1.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-benzyl-3,3-dimethyl-1-propan-2-ylpiperazine-2,5-dione
CID 64902180
1-benzyl-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64873816
1-benzyl-3,3-dimethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 12032341
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 66394905
(5S)-5-benzyl-2,2-dimethyl-1-propylimidazolidin-4-one
CID 101208884
5-benzyl-3-(cyclopropylmethyl)-2-propylimidazolidin-4-one
CID 83251332
(5S)-5-benzyl-1-methylimidazolidine-2,4-dione
CID 165148051
6-butan-2-yl-3,3-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64901588
(6S)-6-benzyl-3,3-dimethylmorpholine-2,5-dione
CID 139058219
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 79206434
5-benzyl-2-cyclopropyl-1-(cyclopropylmethyl)-2-methylpiperazine
CID 64848984
(4R,5S,6S,7R)-4,7-dibenzyl-1-(cyclopentylmethyl)-3-(cyclopropylmethyl)-5,6-dihydroxy-1,3-diazepan-2-one
CID 5327218

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione (CID 64901986) is 6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione is CC1(C)NC(=O)C(Cc2ccccc2)N(CC2CC2)C1=O.
What is the InChIKey of 6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is VCZNNVRZYHZASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-17(2)16(21)19(11-13-8-9-13)14(15(20)18-17)10-12-6-4-3-5-7-12/h3-7,13-14H,8-11H2,1-2H3,(H,18,20).
What are the key properties of 6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione?
6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1-(cyclopropylmethyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64901986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).