naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

C17H16F3NO — CID 51556451

IUPACnaphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)13-7-4-10-21(11-13)16(22)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2/t13-/m1/s1
InChIKeyGKIKDDLWVZLADF-CYBMUJFWSA-N
MW307.31 g/mol
LogP4.25
Rot. Bonds1

About naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 51556451) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID51556451
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Namenaphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)13-7-4-10-21(11-13)16(22)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2/t13-/m1/s1
InChIKeyGKIKDDLWVZLADF-CYBMUJFWSA-N
XLogP4.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-methylpiperidin-1-yl)-naphthalen-1-ylmethanone
CID 4284306
(2-ethoxy-3-fluorophenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607460
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
(2-amino-3-methylphenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60682147
(3-methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 25161591
(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
1-[1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 51239998
(6-fluoro-2-pyridinyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 115496980
[(3R)-1-(2-hydroxybenzoyl)piperidin-3-yl]-naphthalen-1-ylmethanone
CID 95728859
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
(5-chloro-2-hydroxyphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640799

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 51556451) is naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1cccc2ccccc12)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is GKIKDDLWVZLADF-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16F3NO/c18-17(19,20)13-7-4-10-21(11-13)16(22)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,13H,4,7,10-11H2/t13-/m1/s1.
What are the key properties of naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 307.31 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 51556451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).