1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione

C15H16ClFN2O2 — CID 102620919

IUPAC1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H16ClFN2O2/c1-15(10-2-3-10)14(21)18-7-13(20)19(15)8-9-6-11(17)4-5-12(9)16/h4-6,10H,2-3,7-8H2,1H3,(H,18,21)
InChIKeyXVPKEIDIJPWFSQ-UHFFFAOYSA-N
MW310.76 g/mol
LogP2.11
Rot. Bonds3

About 1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione

1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione (PubChem CID 102620919) has the molecular formula C15H16ClFN2O2 and a molecular weight of 310.76 g/mol. Its IUPAC name is 1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
PubChem CID102620919
Molecular FormulaC15H16ClFN2O2
Molecular Weight310.76 g/mol
Exact Mass310.09
IUPAC Name1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
SMILESCC1(C2CC2)C(=O)NCC(=O)N1Cc1cc(F)ccc1Cl
InChIInChI=1S/C15H16ClFN2O2/c1-15(10-2-3-10)14(21)18-7-13(20)19(15)8-9-6-11(17)4-5-12(9)16/h4-6,10H,2-3,7-8H2,1H3,(H,18,21)
InChIKeyXVPKEIDIJPWFSQ-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chloro-5-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 102620914
6-cyclopropyl-1-[(3,4-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879937
6-cyclopropyl-1-[(2,3-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 107310580
6-cyclopropyl-1-[(2,6-dichlorophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879939
1-[(4-bromophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64881292
6-cyclopropyl-1-(2-fluoroethyl)-6-methylpiperazine-2,5-dione
CID 80697163
6-cyclopropyl-6-methyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64881486
1-[(2-chloro-5-fluorophenyl)methyl]-6-ethyl-3,6-dimethylpiperazine-2,5-dione
CID 102620817
1-[(5-bromo-3-pyridinyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione
CID 104812786
1-[(4-chloro-2-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 114861256
1-[(2-chlorophenyl)methyl]-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64874325
6-cyclopropyl-1-[(6-methoxy-2-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879551

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione (CID 102620919) is 1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione is CC1(C2CC2)C(=O)NCC(=O)N1Cc1cc(F)ccc1Cl.
What is the InChIKey of 1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
The InChIKey is XVPKEIDIJPWFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O2/c1-15(10-2-3-10)14(21)18-7-13(20)19(15)8-9-6-11(17)4-5-12(9)16/h4-6,10H,2-3,7-8H2,1H3,(H,18,21).
What are the key properties of 1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione?
1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione has a molecular weight of 310.76 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-fluorophenyl)methyl]-6-cyclopropyl-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 102620919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).