N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

C25H25F3N2O2 — CID 155214284

IUPACN-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)C1CCNCC1
InChIInChI=1S/C25H25F3N2O2/c1-16(17-11-13-29-14-12-17)30-24(31)19-5-10-22-18(15-19)3-2-4-23(22)32-21-8-6-20(7-9-21)25(26,27)28/h2-10,15-17,29H,11-14H2,1H3,(H,30,31)/t16-/m1/s1
InChIKeyJWJTVVKFQOXMDT-MRXNPFEDSA-N
MW442.48 g/mol
LogP5.77
Rot. Bonds5

About N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide

N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214284) has the molecular formula C25H25F3N2O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214284
Molecular FormulaC25H25F3N2O2
Molecular Weight442.48 g/mol
Exact Mass442.19
IUPAC NameN-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)C1CCNCC1
InChIInChI=1S/C25H25F3N2O2/c1-16(17-11-13-29-14-12-17)30-24(31)19-5-10-22-18(15-19)3-2-4-23(22)32-21-8-6-20(7-9-21)25(26,27)28/h2-10,15-17,29H,11-14H2,1H3,(H,30,31)/t16-/m1/s1
InChIKeyJWJTVVKFQOXMDT-MRXNPFEDSA-N
XLogP5.77
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-
CID 122566
YAP/TAZ inhibitor-3
CID 155214091
Benzamide, N-(2-(7-methoxy-1-naphthalenyl)ethyl)-
CID 3071639
(6-(3-(Piperidin-1-yl)propoxy)naphthalen-2-yl)(pyrrolidin-1-yl)methanone
CID 11501506
GT-0198
CID 71584823
15-[2-(Dimethylamino)ethyl]-10-ethoxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione
CID 10090039
3-[4-(3,5-Difluorophenoxy)-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]propanoic acid
CID 10368531
N-[2-(7-methoxy-3-benzoylnaphth-1-yl)ethyl]acetamide
CID 15289276
3-[2-[({3-Methyl-1-[3-(trifluoromethyl)phenyl]butyl}-amino)carbonyl]-4-(phenoxymethyl)phenyl]propanoic acid
CID 23017610
3-[2-[({3-Methyl-1-[4-(trifluoromethyl)phenyl]butyl}-amino)carbonyl]-4-(phenoxymethyl)phenyl]propanoic acid
CID 23017621
(R)-N,N-diethyl-4-(spiro[chroman-2,4''-piperidine]-4-yl)benzamide
CID 44254057
N-[2-(3-(3-Formylphenyl)-7-methoxynaphth-1-yl)ethyl]acetamide
CID 44579259

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214284) is N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)C1CCNCC1.
What is the InChIKey of N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is JWJTVVKFQOXMDT-MRXNPFEDSA-N. The full InChI is InChI=1S/C25H25F3N2O2/c1-16(17-11-13-29-14-12-17)30-24(31)19-5-10-22-18(15-19)3-2-4-23(22)32-21-8-6-20(7-9-21)25(26,27)28/h2-10,15-17,29H,11-14H2,1H3,(H,30,31)/t16-/m1/s1.
What are the key properties of N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 5.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-piperidin-4-ylethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).