N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide

C18H25F3N2O2 — CID 138562720

IUPACN-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCCCNC(=O)C2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O2/c1-25-15-6-5-13(16(12-15)18(19,20)21)4-2-3-9-23-17(24)14-7-10-22-11-8-14/h5-6,12,14,22H,2-4,7-11H2,1H3,(H,23,24)
InChIKeyKLGUKISTXFTNJD-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.15
Rot. Bonds7

About N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide

N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide (PubChem CID 138562720) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide
PubChem CID138562720
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide
SMILESCOc1ccc(CCCCNC(=O)C2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O2/c1-25-15-6-5-13(16(12-15)18(19,20)21)4-2-3-9-23-17(24)14-7-10-22-11-8-14/h5-6,12,14,22H,2-4,7-11H2,1H3,(H,23,24)
InChIKeyKLGUKISTXFTNJD-UHFFFAOYSA-N
XLogP3.15
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide 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-[4-methoxy-2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007077
1-butanoyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 137362374
N-[[4-chloro-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 171622043
N-[2-(2,5-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 119705639
(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063377
4-[[4-methoxy-2-(trifluoromethyl)phenyl]methylcarbamoylamino]-N-methylcyclohexane-1-carboxamide
CID 167837881
3-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 84806155
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
CID 22922635
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119767125
N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide
CID 81433066
N-[2-[(3-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119278671
N-[3-(7-methoxynaphthalen-1-yl)propyl]cyclopentanecarboxamide
CID 19086062

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide (CID 138562720) is N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide is COc1ccc(CCCCNC(=O)C2CCNCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide?
The InChIKey is KLGUKISTXFTNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-25-15-6-5-13(16(12-15)18(19,20)21)4-2-3-9-23-17(24)14-7-10-22-11-8-14/h5-6,12,14,22H,2-4,7-11H2,1H3,(H,23,24).
What are the key properties of N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide?
N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-methoxy-2-(trifluoromethyl)phenyl]butyl]piperidine-4-carboxamide is sourced from PubChem (CID 138562720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).