N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide

C26H29FN2O2 — CID 69073982

IUPACN-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)NCc4ccc(F)cc4)ccc3c2)CC1
InChIInChI=1S/C26H29FN2O2/c1-18(2)29-13-11-24(12-14-29)31-25-10-7-20-15-22(6-5-21(20)16-25)26(30)28-17-19-3-8-23(27)9-4-19/h3-10,15-16,18,24H,11-14,17H2,1-2H3,(H,28,30)
InChIKeyOEVYLGQUILONDD-UHFFFAOYSA-N
MW420.53 g/mol
LogP5.16
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide

N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide (PubChem CID 69073982) has the molecular formula C26H29FN2O2 and a molecular weight of 420.53 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
PubChem CID69073982
Molecular FormulaC26H29FN2O2
Molecular Weight420.53 g/mol
Exact Mass420.22
IUPAC NameN-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide
SMILESCC(C)N1CCC(Oc2ccc3cc(C(=O)NCc4ccc(F)cc4)ccc3c2)CC1
InChIInChI=1S/C26H29FN2O2/c1-18(2)29-13-11-24(12-14-29)31-25-10-7-20-15-22(6-5-21(20)16-25)26(30)28-17-19-3-8-23(27)9-4-19/h3-10,15-16,18,24H,11-14,17H2,1-2H3,(H,28,30)
InChIKeyOEVYLGQUILONDD-UHFFFAOYSA-N
XLogP5.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide (CID 69073982) is N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide is CC(C)N1CCC(Oc2ccc3cc(C(=O)NCc4ccc(F)cc4)ccc3c2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
The InChIKey is OEVYLGQUILONDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2O2/c1-18(2)29-13-11-24(12-14-29)31-25-10-7-20-15-22(6-5-21(20)16-25)26(30)28-17-19-3-8-23(27)9-4-19/h3-10,15-16,18,24H,11-14,17H2,1-2H3,(H,28,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide?
N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-(1-propan-2-ylpiperidin-4-yl)oxynaphthalene-2-carboxamide is sourced from PubChem (CID 69073982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).