1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione

C14H17BrN2O2 — CID 64878706

IUPAC1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O2/c1-2-4-12-14(19)16-8-13(18)17(12)9-10-5-3-6-11(15)7-10/h3,5-7,12H,2,4,8-9H2,1H3,(H,16,19)
InChIKeyNAEWGEIWLLOPGE-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.08
Rot. Bonds4

About 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione

1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione (PubChem CID 64878706) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione
PubChem CID64878706
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione
SMILESCCCC1C(=O)NCC(=O)N1Cc1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O2/c1-2-4-12-14(19)16-8-13(18)17(12)9-10-5-3-6-11(15)7-10/h3,5-7,12H,2,4,8-9H2,1H3,(H,16,19)
InChIKeyNAEWGEIWLLOPGE-UHFFFAOYSA-N
XLogP2.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879076
1-[(3,4-dichlorophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 64880051
1-ethyl-6-propylpiperazine-2,5-dione
CID 64881606
1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 103050932
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-6-propylpiperazine-2,5-dione
CID 64881604
(4R,5S)-3-[(3-bromophenyl)methyl]-2-oxo-5-propyl-1,3-oxazolidine-4-carboxylic acid
CID 139935264
1-[(3-fluorophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64880250
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-6-propylpiperazine-2,5-dione
CID 79214491
2-[(3-bromophenyl)methyl]-3-ethyl-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79924290
1-[(3-bromo-5-fluorophenyl)methyl]-6-tert-butylpiperazine-2,5-dione
CID 79697949
1-[(3-bromophenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
CID 76875677
1-[(4-bromophenyl)methyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64879671

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione (CID 64878706) is 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione is CCCC1C(=O)NCC(=O)N1Cc1cccc(Br)c1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione?
The InChIKey is NAEWGEIWLLOPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-4-12-14(19)16-8-13(18)17(12)9-10-5-3-6-11(15)7-10/h3,5-7,12H,2,4,8-9H2,1H3,(H,16,19).
What are the key properties of 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione?
1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione has a molecular weight of 325.21 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-6-propylpiperazine-2,5-dione is sourced from PubChem (CID 64878706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).