1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one

C35H34FN3O2 — CID 57402133

IUPAC1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
SMILESO=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C35H34FN3O2/c36-31-18-16-28(17-19-31)33(27-10-4-1-5-11-27)38-24-22-37(23-25-38)32(40)26-39-21-20-35(34(39)41,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,33H,20-26H2
InChIKeyKIFQPXIYQSYLPN-UHFFFAOYSA-N
MW547.67 g/mol
LogP5.28
Rot. Bonds7

About 1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one

1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one (PubChem CID 57402133) has the molecular formula C35H34FN3O2 and a molecular weight of 547.67 g/mol. Its IUPAC name is 1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
PubChem CID57402133
Molecular FormulaC35H34FN3O2
Molecular Weight547.67 g/mol
Exact Mass547.26
IUPAC Name1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one
SMILESO=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C35H34FN3O2/c36-31-18-16-28(17-19-31)33(27-10-4-1-5-11-27)38-24-22-37(23-25-38)32(40)26-39-21-20-35(34(39)41,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,33H,20-26H2
InChIKeyKIFQPXIYQSYLPN-UHFFFAOYSA-N
XLogP5.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.67
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
The IUPAC name of 1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one (CID 57402133) is 1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
The canonical SMILES for 1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one is O=C(CN1CCC(c2ccccc2)(c2ccccc2)C1=O)N1CCN(C(c2ccccc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
The InChIKey is KIFQPXIYQSYLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34FN3O2/c36-31-18-16-28(17-19-31)33(27-10-4-1-5-11-27)38-24-22-37(23-25-38)32(40)26-39-21-20-35(34(39)41,29-12-6-2-7-13-29)30-14-8-3-9-15-30/h1-19,33H,20-26H2.
What are the key properties of 1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one?
1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one has a molecular weight of 547.67 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]-2-oxoethyl]-3,3-diphenylpyrrolidin-2-one is sourced from PubChem (CID 57402133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).