1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione

C14H22N2O2 — CID 64965620

IUPAC1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(C(C2CC2)C2CC2)C1=O
InChIInChI=1S/C14H22N2O2/c1-8(2)12-14(18)16(7-11(17)15-12)13(9-3-4-9)10-5-6-10/h8-10,12-13H,3-7H2,1-2H3,(H,15,17)
InChIKeyGYEGQBXSBFNNCE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.16
Rot. Bonds4

About 1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione

1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 64965620) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione
PubChem CID64965620
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1NC(=O)CN(C(C2CC2)C2CC2)C1=O
InChIInChI=1S/C14H22N2O2/c1-8(2)12-14(18)16(7-11(17)15-12)13(9-3-4-9)10-5-6-10/h8-10,12-13H,3-7H2,1-2H3,(H,15,17)
InChIKeyGYEGQBXSBFNNCE-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-cyclopentylethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64972256
1-(1-cyclopropylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64971884
1-(4-methylpentan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64960093
1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
CID 64957214
1-(6-methylheptan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64965166
1-(1-phenylpropan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64970610
1-phenyl-3-propan-2-ylpiperazine-2,5-dione
CID 64958767
1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64973284
1-(2-fluoroethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 80697304
1-[1-(3-fluorophenyl)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 64966045
1-(4-iodophenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962699
1-(2-methylbutyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64879559

Frequently Asked Questions

What is the IUPAC name of 1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione (CID 64965620) is 1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione is CC(C)C1NC(=O)CN(C(C2CC2)C2CC2)C1=O.
What is the InChIKey of 1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is GYEGQBXSBFNNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-8(2)12-14(18)16(7-11(17)15-12)13(9-3-4-9)10-5-6-10/h8-10,12-13H,3-7H2,1-2H3,(H,15,17).
What are the key properties of 1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione?
1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 250.34 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dicyclopropylmethyl)-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64965620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).