1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione

C14H17ClN2O3 — CID 107623446

IUPAC1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccc(Cl)c(OC)c2)C1=O
InChIInChI=1S/C14H17ClN2O3/c1-3-4-11-14(19)17(8-13(18)16-11)9-5-6-10(15)12(7-9)20-2/h5-7,11H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyOCBWCOHSFGMJAU-UHFFFAOYSA-N
MW296.75 g/mol
LogP1.98
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione

1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione (PubChem CID 107623446) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione
PubChem CID107623446
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(c2ccc(Cl)c(OC)c2)C1=O
InChIInChI=1S/C14H17ClN2O3/c1-3-4-11-14(19)17(8-13(18)16-11)9-5-6-10(15)12(7-9)20-2/h5-7,11H,3-4,8H2,1-2H3,(H,16,18)
InChIKeyOCBWCOHSFGMJAU-UHFFFAOYSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816
1-(3,5-dichloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107580202
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
1-(2-chlorophenyl)-3-propylpiperazine-2,5-dione
CID 64962555
3-propyl-1-quinolin-6-ylpiperazine-2,5-dione
CID 64969744
1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione
CID 107587022
3-propyl-1-pyridin-3-ylpiperazine-2,5-dione
CID 64956276
3-butan-2-yl-1-(4-fluoro-3-methoxyphenyl)piperazine-2,5-dione
CID 114840990
1-[(2-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64878854
1-(2-bromo-6-chloro-4-fluorophenyl)-3-propylpiperazine-2,5-dione
CID 107617423
3-propyl-1-[6-(trifluoromethyl)-3-pyridinyl]piperazine-2,5-dione
CID 82795304
1-[(3-bromo-4-methoxyphenyl)methyl]-3-propylpiperazine-2,5-dione
CID 64879602

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione (CID 107623446) is 1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(c2ccc(Cl)c(OC)c2)C1=O.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione?
The InChIKey is OCBWCOHSFGMJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-3-4-11-14(19)17(8-13(18)16-11)9-5-6-10(15)12(7-9)20-2/h5-7,11H,3-4,8H2,1-2H3,(H,16,18).
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione?
1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione has a molecular weight of 296.75 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 107623446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).