3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C14H17F3N2O2 — CID 24748652

IUPAC3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2O2/c1-10-3-2-8-19(9-10)13(20)18-11-4-6-12(7-5-11)21-14(15,16)17/h4-7,10H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyDKVGPDYQSGNOEX-UHFFFAOYSA-N
MW302.30 g/mol
LogP3.85
Rot. Bonds2

About 3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 24748652) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID24748652
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2O2/c1-10-3-2-8-19(9-10)13(20)18-11-4-6-12(7-5-11)21-14(15,16)17/h4-7,10H,2-3,8-9H2,1H3,(H,18,20)
InChIKeyDKVGPDYQSGNOEX-UHFFFAOYSA-N
XLogP3.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
(3S)-3-methyl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 104976383
(2S,6S)-2,6-dimethyl-N-[4-(trifluoromethoxy)phenyl]morpholine-4-carboxamide
CID 51427241
(3S)-3-phenoxazin-10-yl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 166667248
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085523
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
4-(cyclopentanecarbonyl)-N-[4-(trifluoromethoxy)phenyl]-1,12-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 172884683
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
2-[4-(3-methylpiperidin-1-yl)butyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111060264

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 24748652) is 3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is CC1CCCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of 3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is DKVGPDYQSGNOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-10-3-2-8-19(9-10)13(20)18-11-4-6-12(7-5-11)21-14(15,16)17/h4-7,10H,2-3,8-9H2,1H3,(H,18,20).
What are the key properties of 3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 24748652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).