1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione

C15H15F3N2O3 — CID 2826366

IUPAC1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccc(OC(F)(F)F)cc2)C(=O)CN1CC1CC1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)23-12-5-3-11(4-6-12)20-9-13(21)19(8-14(20)22)7-10-1-2-10/h3-6,10H,1-2,7-9H2
InChIKeyWCBMRBDBZQEBAO-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.17
Rot. Bonds4

About 1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione

1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione (PubChem CID 2826366) has the molecular formula C15H15F3N2O3 and a molecular weight of 328.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione
PubChem CID2826366
Molecular FormulaC15H15F3N2O3
Molecular Weight328.29 g/mol
Exact Mass328.10
IUPAC Name1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccc(OC(F)(F)F)cc2)C(=O)CN1CC1CC1
InChIInChI=1S/C15H15F3N2O3/c16-15(17,18)23-12-5-3-11(4-6-12)20-9-13(21)19(8-14(20)22)7-10-1-2-10/h3-6,10H,1-2,7-9H2
InChIKeyWCBMRBDBZQEBAO-UHFFFAOYSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione?
The IUPAC name of 1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione (CID 2826366) is 1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione is O=C1CN(c2ccc(OC(F)(F)F)cc2)C(=O)CN1CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione?
The InChIKey is WCBMRBDBZQEBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3/c16-15(17,18)23-12-5-3-11(4-6-12)20-9-13(21)19(8-14(20)22)7-10-1-2-10/h3-6,10H,1-2,7-9H2.
What are the key properties of 1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione?
1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione has a molecular weight of 328.29 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[4-(trifluoromethoxy)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 2826366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).