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

C15H17ClN2O3 — CID 64878924

IUPAC1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione
SMILESCOc1ccc(Cl)cc1CN1C(=O)CNC(=O)C1C1CC1
InChIInChI=1S/C15H17ClN2O3/c1-21-12-5-4-11(16)6-10(12)8-18-13(19)7-17-15(20)14(18)9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3,(H,17,20)
InChIKeyVFPPAQCMWCTHAM-UHFFFAOYSA-N
MW308.76 g/mol
LogP1.59
Rot. Bonds4

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

1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione (PubChem CID 64878924) has the molecular formula C15H17ClN2O3 and a molecular weight of 308.76 g/mol. Its IUPAC name is 1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione
PubChem CID64878924
Molecular FormulaC15H17ClN2O3
Molecular Weight308.76 g/mol
Exact Mass308.09
IUPAC Name1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione
SMILESCOc1ccc(Cl)cc1CN1C(=O)CNC(=O)C1C1CC1
InChIInChI=1S/C15H17ClN2O3/c1-21-12-5-4-11(16)6-10(12)8-18-13(19)7-17-15(20)14(18)9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3,(H,17,20)
InChIKeyVFPPAQCMWCTHAM-UHFFFAOYSA-N
XLogP1.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropyl-1-[(2-fluoro-3-methoxyphenyl)methyl]piperazine-2,5-dione
CID 104795313
6-ethyl-1-[(2-methoxy-5-methylphenyl)methyl]piperazine-2,5-dione
CID 64879658
1-[(5-chloro-2-methoxyphenyl)methyl]-6-ethyl-6-methylpiperazine-2,5-dione
CID 64880105
1-[(5-chloro-2-fluorophenyl)methyl]-6-propylpiperazine-2,5-dione
CID 103050932
1-[(5-chloro-2-methoxyphenyl)methyl]pyrimidin-2-one
CID 113226508
4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-2-one
CID 8548890
3-amino-1-[(5-chloro-2-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 82160149
6-cyclopropyl-1-[(2-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64875276
4-[(5-chloro-2-methoxyphenyl)methyl]-3-methyl-2,3-dihydro-1H-quinoxaline
CID 115318338
1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 12641842
2-(3-bromo-3-cyclopropylpropyl)-4-chloro-1-methoxybenzene
CID 63471316
3-[(5-chloro-2-methoxyphenyl)methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 119927486

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione (CID 64878924) is 1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione is COc1ccc(Cl)cc1CN1C(=O)CNC(=O)C1C1CC1.
What is the InChIKey of 1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione?
The InChIKey is VFPPAQCMWCTHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O3/c1-21-12-5-4-11(16)6-10(12)8-18-13(19)7-17-15(20)14(18)9-2-3-9/h4-6,9,14H,2-3,7-8H2,1H3,(H,17,20).
What are the key properties of 1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione?
1-[(5-chloro-2-methoxyphenyl)methyl]-6-cyclopropylpiperazine-2,5-dione has a molecular weight of 308.76 g/mol, XLogP of 1.59, 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-cyclopropylpiperazine-2,5-dione is sourced from PubChem (CID 64878924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).