4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide

C17H22F3N3O3 — CID 120622725

IUPAC4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CCNCC1
InChIInChI=1S/C17H22F3N3O3/c1-26-11-16(6-8-21-9-7-16)15(25)23-13-4-2-12(3-5-13)14(24)22-10-17(18,19)20/h2-5,21H,6-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyOKDCGAUEWDJMJT-UHFFFAOYSA-N
MW373.38 g/mol
LogP1.93
Rot. Bonds6

About 4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide (PubChem CID 120622725) has the molecular formula C17H22F3N3O3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
PubChem CID120622725
Molecular FormulaC17H22F3N3O3
Molecular Weight373.38 g/mol
Exact Mass373.16
IUPAC Name4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CCNCC1
InChIInChI=1S/C17H22F3N3O3/c1-26-11-16(6-8-21-9-7-16)15(25)23-13-4-2-12(3-5-13)14(24)22-10-17(18,19)20/h2-5,21H,6-11H2,1H3,(H,22,24)(H,23,25)
InChIKeyOKDCGAUEWDJMJT-UHFFFAOYSA-N
XLogP1.93
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(ethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621167
N-[4-(cyclopropylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120619359
N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739
N-[4-(cyclohexylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120625325
ethyl 4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616304
4-(methoxymethyl)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]piperidine-4-carboxamide
CID 120626064
N-(4-anilinophenyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 120616741
N-[4-(2-amino-2-oxoethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120620858
dimethyl 5-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 120616457
4-(methoxymethyl)-N-[4-(triazol-2-yl)phenyl]piperidine-4-carboxamide
CID 120623718
[4-[[4-(methoxymethyl)piperidine-4-carbonyl]amino]phenyl] N,N-dimethylcarbamate
CID 175264615
N-[4-(4-ethoxyphenoxy)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617171

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide (CID 120622725) is 4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide is COCC1(C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
The InChIKey is OKDCGAUEWDJMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O3/c1-26-11-16(6-8-21-9-7-16)15(25)23-13-4-2-12(3-5-13)14(24)22-10-17(18,19)20/h2-5,21H,6-11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide has a molecular weight of 373.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 120622725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).