1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione

C15H19ClN2O3 — CID 64880105

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H19ClN2O3/c1-4-15(2)14(20)17-8-13(19)18(15)9-10-7-11(16)5-6-12(10)21-3/h5-7H,4,8-9H2,1-3H3,(H,17,20)
InChIKeyYBIAFORHYDJMFY-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.98
Rot. Bonds4

About 1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione

1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione (PubChem CID 64880105) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
PubChem CID64880105
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
SMILESCCC1(C)C(=O)NCC(=O)N1Cc1cc(Cl)ccc1OC
InChIInChI=1S/C15H19ClN2O3/c1-4-15(2)14(20)17-8-13(19)18(15)9-10-7-11(16)5-6-12(10)21-3/h5-7H,4,8-9H2,1-3H3,(H,17,20)
InChIKeyYBIAFORHYDJMFY-UHFFFAOYSA-N
XLogP1.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-dichlorophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64879523
1-[(2-bromophenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64878954
6-ethyl-6-methyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82871112
1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione
CID 64878924
1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one
CID 113226508
4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one
CID 8548890
6-ethyl-6-methyl-1-pentylpiperazine-2,5-dione
CID 64879719
3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 82160149
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
5-amino-1-[(5-chloro-2-methoxyphenyl)methyl]-3H-indol-2-one
CID 43646691
3-[(5-chloro-2-methoxyphenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 122133580
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione (CID 64880105) is 1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione is CCC1(C)C(=O)NCC(=O)N1Cc1cc(Cl)ccc1OC.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
The InChIKey is YBIAFORHYDJMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-4-15(2)14(20)17-8-13(19)18(15)9-10-7-11(16)5-6-12(10)21-3/h5-7H,4,8-9H2,1-3H3,(H,17,20).
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione?
1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione has a molecular weight of 310.78 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-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64880105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).