(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C18H18F3NO2 — CID 25161591

IUPAC(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H18F3NO2/c1-24-16-10-13-6-3-2-5-12(13)9-15(16)17(23)22-8-4-7-14(11-22)18(19,20)21/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3
InChIKeyHXALUEWPQDMVKI-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.26
Rot. Bonds2

About (3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 25161591) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is (3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID25161591
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCOc1cc2ccccc2cc1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C18H18F3NO2/c1-24-16-10-13-6-3-2-5-12(13)9-15(16)17(23)22-8-4-7-14(11-22)18(19,20)21/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3
InChIKeyHXALUEWPQDMVKI-UHFFFAOYSA-N
XLogP4.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 78987895
(4-amino-5-chloro-2-methoxyphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 119682788
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51556451
(2-amino-3-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60682147
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methoxynaphthalen-2-yl)methanone
CID 27271524
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 7064237
(5-chloro-2-hydroxyphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640799
(2-chloro-5-methylsulfanylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51922925
(4-fluorophenyl)-[2-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
CID 39975265
(4-fluorophenyl)-[2-[3-(trifluoromethyl)piperidine-1-carbonyl]phenyl]methanone
CID 42945605
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249
(5-amino-2-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61101822

Frequently Asked Questions

What is the IUPAC name of (3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 25161591) is (3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is COc1cc2ccccc2cc1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is HXALUEWPQDMVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-24-16-10-13-6-3-2-5-12(13)9-15(16)17(23)22-8-4-7-14(11-22)18(19,20)21/h2-3,5-6,9-10,14H,4,7-8,11H2,1H3.
What are the key properties of (3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 337.34 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 25161591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).