N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide

C19H25F3N2O — CID 171336017

IUPACN-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H25F3N2O/c1-23(18(25)14-6-4-7-14)16-9-11-24(12-10-16)13-15-5-2-3-8-17(15)19(20,21)22/h2-3,5,8,14,16H,4,6-7,9-13H2,1H3
InChIKeyFREXTLHYSMRRQV-UHFFFAOYSA-N
MW354.42 g/mol
LogP3.93
Rot. Bonds4

About N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide

N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 171336017) has the molecular formula C19H25F3N2O and a molecular weight of 354.42 g/mol. Its IUPAC name is N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID171336017
Molecular FormulaC19H25F3N2O
Molecular Weight354.42 g/mol
Exact Mass354.19
IUPAC NameN-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCN(C(=O)C1CCC1)C1CCN(Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H25F3N2O/c1-23(18(25)14-6-4-7-14)16-9-11-24(12-10-16)13-15-5-2-3-8-17(15)19(20,21)22/h2-3,5,8,14,16H,4,6-7,9-13H2,1H3
InChIKeyFREXTLHYSMRRQV-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171336029
N-methyl-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171336018
pyrrolidin-1-yl-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanone
CID 134058330
N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 42542209
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-N-methylcyclobutanecarboxamide
CID 171335916
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
N-phenyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 18089156
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
N-methyl-N-[1-[[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 171335579
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
N-ethyl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62880119
N-methyl-1-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 63250554

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide (CID 171336017) is N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide is CN(C(=O)C1CCC1)C1CCN(Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is FREXTLHYSMRRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O/c1-23(18(25)14-6-4-7-14)16-9-11-24(12-10-16)13-15-5-2-3-8-17(15)19(20,21)22/h2-3,5,8,14,16H,4,6-7,9-13H2,1H3.
What are the key properties of N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide?
N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 354.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 171336017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).