[1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C23H26F2N2O — CID 45488957

IUPAC[1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCCC1
InChIInChI=1S/C23H26F2N2O/c24-20-7-3-17(4-8-20)22(18-5-9-21(25)10-6-18)26-15-11-19(12-16-26)23(28)27-13-1-2-14-27/h3-10,19,22H,1-2,11-16H2
InChIKeyWLOGITOFOHAPAV-UHFFFAOYSA-N
MW384.47 g/mol
LogP4.39
Rot. Bonds4

About [1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 45488957) has the molecular formula C23H26F2N2O and a molecular weight of 384.47 g/mol. Its IUPAC name is [1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID45488957
Molecular FormulaC23H26F2N2O
Molecular Weight384.47 g/mol
Exact Mass384.20
IUPAC Name[1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCCC1
InChIInChI=1S/C23H26F2N2O/c24-20-7-3-17(4-8-20)22(18-5-9-21(25)10-6-18)26-15-11-19(12-16-26)23(28)27-13-1-2-14-27/h3-10,19,22H,1-2,11-16H2
InChIKeyWLOGITOFOHAPAV-UHFFFAOYSA-N
XLogP4.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.47
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 45488957) is [1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1)N1CCCC1.
What is the InChIKey of [1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WLOGITOFOHAPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N2O/c24-20-7-3-17(4-8-20)22(18-5-9-21(25)10-6-18)26-15-11-19(12-16-26)23(28)27-13-1-2-14-27/h3-10,19,22H,1-2,11-16H2.
What are the key properties of [1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 384.47 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[bis(4-fluorophenyl)methyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 45488957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).