1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

C16H27N3O2 — CID 64967397

IUPAC1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(C2CCN(C3CC3)C2)C1=O
InChIInChI=1S/C16H27N3O2/c1-10(2)8-14-16(21)19(11(3)15(20)17-14)13-6-7-18(9-13)12-4-5-12/h10-14H,4-9H2,1-3H3,(H,17,20)
InChIKeySUZKPGYGQGICCQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.98
Rot. Bonds4

About 1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64967397) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64967397
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)C(C)N(C2CCN(C3CC3)C2)C1=O
InChIInChI=1S/C16H27N3O2/c1-10(2)8-14-16(21)19(11(3)15(20)17-14)13-6-7-18(9-13)12-4-5-12/h10-14H,4-9H2,1-3H3,(H,17,20)
InChIKeySUZKPGYGQGICCQ-UHFFFAOYSA-N
XLogP0.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylpyrrolidin-3-yl)-3,6-diethylpiperazine-2,5-dione
CID 64967253
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
1-(cyclobutylmethyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960282
1-cyclopropyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64958390
3-ethyl-6-methyl-1-(4-methylcyclohexyl)piperazine-2,5-dione
CID 64958926
6-methyl-3-(2-methylpropyl)-1-(thiolan-2-ylmethyl)piperazine-2,5-dione
CID 80586725
6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
CID 83146598
6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971117
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 65043356
3-ethyl-6-methyl-1-(1-propylpiperidin-4-yl)piperazine-2,5-dione
CID 64966271
1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956777

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 64967397) is 1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)C(C)N(C2CCN(C3CC3)C2)C1=O.
What is the InChIKey of 1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is SUZKPGYGQGICCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-10(2)8-14-16(21)19(11(3)15(20)17-14)13-6-7-18(9-13)12-4-5-12/h10-14H,4-9H2,1-3H3,(H,17,20).
What are the key properties of 1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 293.41 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64967397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).