4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide

C26H33FN2O3 — CID 100682604

IUPAC4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide
SMILESC[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C26H33FN2O3/c1-20-6-4-5-15-29(20)16-19-32-22-11-9-21(10-12-22)28-25(30)26(13-17-31-18-14-26)23-7-2-3-8-24(23)27/h2-3,7-12,20H,4-6,13-19H2,1H3,(H,28,30)/t20-/m1/s1
InChIKeyIHZHTRKYTMQLBF-HXUWFJFHSA-N
MW440.56 g/mol
LogP4.77
Rot. Bonds7

About 4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide

4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide (PubChem CID 100682604) has the molecular formula C26H33FN2O3 and a molecular weight of 440.56 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide
PubChem CID100682604
Molecular FormulaC26H33FN2O3
Molecular Weight440.56 g/mol
Exact Mass440.25
IUPAC Name4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide
SMILESC[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1
InChIInChI=1S/C26H33FN2O3/c1-20-6-4-5-15-29(20)16-19-32-22-11-9-21(10-12-22)28-25(30)26(13-17-31-18-14-26)23-7-2-3-8-24(23)27/h2-3,7-12,20H,4-6,13-19H2,1H3,(H,28,30)/t20-/m1/s1
InChIKeyIHZHTRKYTMQLBF-HXUWFJFHSA-N
XLogP4.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-4-phenyloxane-4-carboxamide
CID 100679341
4-(4-fluorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]oxane-4-carboxamide
CID 100683737
1-(2-chlorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]cyclopentane-1-carboxamide
CID 100666816
1-(2-chlorophenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133188318
1-(4-chlorophenyl)-N-[4-[2-(2-methylpiperidin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 133188306
4-(3-methylphenyl)-N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]oxane-4-carboxamide
CID 100681078
N-[4-[2-(azepan-1-yl)ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673262
1-(2-fluorophenyl)-N-[4-[3-(4-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 100663159
4-(2-fluorophenyl)-N-[4-(2-methylpropoxy)phenyl]oxane-4-carboxamide
CID 100682348
N-[4-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]-1-(2-fluorophenyl)cyclohexane-1-carboxamide
CID 100673240
4-(2-fluorophenyl)-N-(4-phenylmethoxyphenyl)oxane-4-carboxamide
CID 100682380
1-(2,4-dichlorophenyl)-N-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]cyclohexane-1-carboxamide
CID 133194312

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide (CID 100682604) is 4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide is C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1.
What is the InChIKey of 4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide?
The InChIKey is IHZHTRKYTMQLBF-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H33FN2O3/c1-20-6-4-5-15-29(20)16-19-32-22-11-9-21(10-12-22)28-25(30)26(13-17-31-18-14-26)23-7-2-3-8-24(23)27/h2-3,7-12,20H,4-6,13-19H2,1H3,(H,28,30)/t20-/m1/s1.
What are the key properties of 4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide?
4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide has a molecular weight of 440.56 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethoxy]phenyl]oxane-4-carboxamide is sourced from PubChem (CID 100682604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).