1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one

C24H29F2N3O — CID 47522140

IUPAC1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29F2N3O/c25-21-8-4-19(5-9-21)24(20-6-10-22(26)11-7-20)29-17-15-27(16-18-29)12-2-14-28-13-1-3-23(28)30/h4-11,24H,1-3,12-18H2
InChIKeyRVGLKUCAUFJMLC-UHFFFAOYSA-N
MW413.51 g/mol
LogP3.68
Rot. Bonds7

About 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one

1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 47522140) has the molecular formula C24H29F2N3O and a molecular weight of 413.51 g/mol. Its IUPAC name is 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID47522140
Molecular FormulaC24H29F2N3O
Molecular Weight413.51 g/mol
Exact Mass413.23
IUPAC Name1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H29F2N3O/c25-21-8-4-19(5-9-21)24(20-6-10-22(26)11-7-20)29-17-15-27(16-18-29)12-2-14-28-13-1-3-23(28)30/h4-11,24H,1-3,12-18H2
InChIKeyRVGLKUCAUFJMLC-UHFFFAOYSA-N
XLogP3.68
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520387
(1S,7R)-4-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 10256028
N-[2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-fluoroaniline
CID 19827128
1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 56509402
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]pyrrolidin-2-one
CID 47520269
4-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one
CID 69494973
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
1-[2-[cyclopropyl-[2-(4-fluorophenyl)-2-hydroxyethyl]amino]ethyl]pyrrolidin-2-one
CID 71999862
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86923478
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 36850979
3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-2,4-dione
CID 123654843
3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 7038412

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one (CID 47522140) is 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is RVGLKUCAUFJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N3O/c25-21-8-4-19(5-9-21)24(20-6-10-22(26)11-7-20)29-17-15-27(16-18-29)12-2-14-28-13-1-3-23(28)30/h4-11,24H,1-3,12-18H2.
What are the key properties of 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one?
1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 413.51 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 47522140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).