pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone

C23H32F3N3O — CID 25448752

IUPACpyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1)N1CCCC1
InChIInChI=1S/C23H32F3N3O/c24-23(25,26)20-5-3-4-18(16-20)17-27-12-8-21(9-13-27)28-14-6-19(7-15-28)22(30)29-10-1-2-11-29/h3-5,16,19,21H,1-2,6-15,17H2
InChIKeyMHGKAUKUMDPKIR-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.00
Rot. Bonds4

About pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone

pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone (PubChem CID 25448752) has the molecular formula C23H32F3N3O and a molecular weight of 423.52 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
PubChem CID25448752
Molecular FormulaC23H32F3N3O
Molecular Weight423.52 g/mol
Exact Mass423.25
IUPAC Namepyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1)N1CCCC1
InChIInChI=1S/C23H32F3N3O/c24-23(25,26)20-5-3-4-18(16-20)17-27-12-8-21(9-13-27)28-14-6-19(7-15-28)22(30)29-10-1-2-11-29/h3-5,16,19,21H,1-2,6-15,17H2
InChIKeyMHGKAUKUMDPKIR-UHFFFAOYSA-N
XLogP4.00
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3S)-3-pyrrolidin-1-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine
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N'-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboximidamide
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N-[4-[[4-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]methyl]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone (CID 25448752) is pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone is O=C(C1CCN(C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone?
The InChIKey is MHGKAUKUMDPKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N3O/c24-23(25,26)20-5-3-4-18(16-20)17-27-12-8-21(9-13-27)28-14-6-19(7-15-28)22(30)29-10-1-2-11-29/h3-5,16,19,21H,1-2,6-15,17H2.
What are the key properties of pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone?
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone has a molecular weight of 423.52 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone is sourced from PubChem (CID 25448752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).