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

C27H28F4N2O2 — CID 155214113

IUPACN-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)C1CCN(CCF)CC1
InChIInChI=1S/C27H28F4N2O2/c1-18(19-11-14-33(15-12-19)16-13-28)32-26(34)21-5-10-24-20(17-21)3-2-4-25(24)35-23-8-6-22(7-9-23)27(29,30)31/h2-10,17-19H,11-16H2,1H3,(H,32,34)/t18-/m1/s1
InChIKeyUEEXNLNATLUBKF-GOSISDBHSA-N
MW488.53 g/mol
LogP6.45
Rot. Bonds7

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

N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (PubChem CID 155214113) has the molecular formula C27H28F4N2O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
PubChem CID155214113
Molecular FormulaC27H28F4N2O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC NameN-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide
SMILESC[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)C1CCN(CCF)CC1
InChIInChI=1S/C27H28F4N2O2/c1-18(19-11-14-33(15-12-19)16-13-28)32-26(34)21-5-10-24-20(17-21)3-2-4-25(24)35-23-8-6-22(7-9-23)27(29,30)31/h2-10,17-19H,11-16H2,1H3,(H,32,34)/t18-/m1/s1
InChIKeyUEEXNLNATLUBKF-GOSISDBHSA-N
XLogP6.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.53
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The IUPAC name of N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide (CID 155214113) is N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is C[C@@H](NC(=O)c1ccc2c(Oc3ccc(C(F)(F)F)cc3)cccc2c1)C1CCN(CCF)CC1.
What is the InChIKey of N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
The InChIKey is UEEXNLNATLUBKF-GOSISDBHSA-N. The full InChI is InChI=1S/C27H28F4N2O2/c1-18(19-11-14-33(15-12-19)16-13-28)32-26(34)21-5-10-24-20(17-21)3-2-4-25(24)35-23-8-6-22(7-9-23)27(29,30)31/h2-10,17-19H,11-16H2,1H3,(H,32,34)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide?
N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide has a molecular weight of 488.53 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2-fluoroethyl)piperidin-4-yl]ethyl]-5-[4-(trifluoromethyl)phenoxy]naphthalene-2-carboxamide is sourced from PubChem (CID 155214113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).