pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone

C18H23F3N2O — CID 134058330

IUPACpyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2C(F)(F)F)CC1)N1CCCC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)16-6-2-1-5-15(16)13-22-11-7-14(8-12-22)17(24)23-9-3-4-10-23/h1-2,5-6,14H,3-4,7-13H2
InChIKeyCVOJZXABBWMVRD-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.54
Rot. Bonds3

About pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone

pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone (PubChem CID 134058330) has the molecular formula C18H23F3N2O and a molecular weight of 340.39 g/mol. Its IUPAC name is pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
PubChem CID134058330
Molecular FormulaC18H23F3N2O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Namepyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
SMILESO=C(C1CCN(Cc2ccccc2C(F)(F)F)CC1)N1CCCC1
InChIInChI=1S/C18H23F3N2O/c19-18(20,21)16-6-2-1-5-15(16)13-22-11-7-14(8-12-22)17(24)23-9-3-4-10-23/h1-2,5-6,14H,3-4,7-13H2
InChIKeyCVOJZXABBWMVRD-UHFFFAOYSA-N
XLogP3.54
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 25250006
[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone;oxalic acid
CID 44828315
N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336017
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
1-(1-benzylpiperidin-4-yl)-2-[2-(trifluoromethyl)phenyl]ethanone
CID 22247923
cyclobutyl-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 113074078
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163357912
1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]azepan-2-one
CID 134792490
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
N-(2-methoxyphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 37179444

Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone?
The IUPAC name of pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone (CID 134058330) is pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone.
What is the SMILES notation for pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone?
The canonical SMILES for pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone is O=C(C1CCN(Cc2ccccc2C(F)(F)F)CC1)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone?
The InChIKey is CVOJZXABBWMVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3N2O/c19-18(20,21)16-6-2-1-5-15(16)13-22-11-7-14(8-12-22)17(24)23-9-3-4-10-23/h1-2,5-6,14H,3-4,7-13H2.
What are the key properties of pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone?
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone has a molecular weight of 340.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone is sourced from PubChem (CID 134058330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).