4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one

C14H14Cl2N2O2 — CID 97010771

IUPAC4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C14H14Cl2N2O2/c15-8-1-2-9(12(16)5-8)10-6-11(10)14(20)18-4-3-17-13(19)7-18/h1-2,5,10-11H,3-4,6-7H2,(H,17,19)/t10-,11+/m0/s1
InChIKeyBWAWXDVHAOMSOZ-WDEREUQCSA-N
MW313.18 g/mol
LogP2.06
Rot. Bonds2

About 4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one

4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one (PubChem CID 97010771) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one
PubChem CID97010771
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one
SMILESO=C1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCN1
InChIInChI=1S/C14H14Cl2N2O2/c15-8-1-2-9(12(16)5-8)10-6-11(10)14(20)18-4-3-17-13(19)7-18/h1-2,5,10-11H,3-4,6-7H2,(H,17,19)/t10-,11+/m0/s1
InChIKeyBWAWXDVHAOMSOZ-WDEREUQCSA-N
XLogP2.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one?
The IUPAC name of 4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one (CID 97010771) is 4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one.
What is the SMILES notation for 4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one?
The canonical SMILES for 4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one is O=C1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CCN1.
What is the InChIKey of 4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one?
The InChIKey is BWAWXDVHAOMSOZ-WDEREUQCSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-8-1-2-9(12(16)5-8)10-6-11(10)14(20)18-4-3-17-13(19)7-18/h1-2,5,10-11H,3-4,6-7H2,(H,17,19)/t10-,11+/m0/s1.
What are the key properties of 4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one?
4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one has a molecular weight of 313.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2R)-2-(2,4-dichlorophenyl)cyclopropanecarbonyl]piperazin-2-one is sourced from PubChem (CID 97010771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).