1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione

C16H20N2O2 — CID 64967274

IUPAC1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1C1CC1c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-10(2)15-16(20)17-9-14(19)18(15)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3,(H,17,20)
InChIKeyCBORBTCTWCJHCW-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.53
Rot. Bonds3

About 1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione

1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64967274) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64967274
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1C1CC1c1ccccc1
InChIInChI=1S/C16H20N2O2/c1-10(2)15-16(20)17-9-14(19)18(15)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3,(H,17,20)
InChIKeyCBORBTCTWCJHCW-UHFFFAOYSA-N
XLogP1.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64969338
1-phenyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958790
1-(2-phenylcyclopropyl)piperazine-2,5-dione
CID 64955530
1-cyclohexyl-6-propan-2-ylpiperazine-2,5-dione
CID 64958842
1-(3,4-dihydro-2H-chromen-4-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64968809
1-[(2-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880254
1-(2-methyloxolan-3-yl)-6-phenylpiperazine-2,5-dione
CID 82737491
1-(5-methylhexan-2-yl)-6-phenylpiperazine-2,5-dione
CID 64971483
1-[2-(2-fluorophenyl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64957110
1-(3-bromophenyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64961530
4-(2-phenylcyclopropyl)-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 62898212
6-propan-2-yl-1-(thiophen-2-ylmethyl)piperazine-2,5-dione
CID 64880056

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64967274) is 1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NCC(=O)N1C1CC1c1ccccc1.
What is the InChIKey of 1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is CBORBTCTWCJHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10(2)15-16(20)17-9-14(19)18(15)13-8-12(13)11-6-4-3-5-7-11/h3-7,10,12-13,15H,8-9H2,1-2H3,(H,17,20).
What are the key properties of 1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione?
1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylcyclopropyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64967274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).