4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide

C27H36N2O3 — CID 129455548

IUPAC4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide
SMILESCOc1ccccc1-c1ccc(CC2(C(=O)NCCN3CCCCC3)CCOCC2)cc1
InChIInChI=1S/C27H36N2O3/c1-31-25-8-4-3-7-24(25)23-11-9-22(10-12-23)21-27(13-19-32-20-14-27)26(30)28-15-18-29-16-5-2-6-17-29/h3-4,7-12H,2,5-6,13-21H2,1H3,(H,28,30)
InChIKeyIRZQXEFUZRLBFE-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.30
Rot. Bonds8

About 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide

4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide (PubChem CID 129455548) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide
PubChem CID129455548
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC Name4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide
SMILESCOc1ccccc1-c1ccc(CC2(C(=O)NCCN3CCCCC3)CCOCC2)cc1
InChIInChI=1S/C27H36N2O3/c1-31-25-8-4-3-7-24(25)23-11-9-22(10-12-23)21-27(13-19-32-20-14-27)26(30)28-15-18-29-16-5-2-6-17-29/h3-4,7-12H,2,5-6,13-21H2,1H3,(H,28,30)
InChIKeyIRZQXEFUZRLBFE-UHFFFAOYSA-N
XLogP4.30
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-propyloxane-4-carboxamide
CID 110082574
methyl 2-[[4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carbonyl]amino]acetate
CID 110082576
N-[(2S)-1-hydroxypropan-2-yl]-4-[[4-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 124987428
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(thiophen-2-ylmethyl)oxane-4-carboxamide
CID 155982714
4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylsulfonylethyl)oxane-4-carboxamide
CID 110075926
N-(2-methoxyethyl)-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 95805201
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(3S)-oxan-3-yl]oxane-4-carboxamide
CID 129458009
4-[[3-(2-methoxyphenyl)phenyl]methyl]-N-(1-pyrrolidin-1-ylpropan-2-yl)oxane-4-carboxamide
CID 110088909
4-[[3-(2-methoxyphenyl)phenyl]methyl]-N-[(2R)-1-pyrrolidin-1-ylpropan-2-yl]oxane-4-carboxamide
CID 124964866
N-(2-acetamidoethyl)-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 155983023
N-[3-(dimethylamino)propyl]-4-[[3-(2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 110087861
N-[2-(cyclohexen-1-yl)ethyl]-4-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
CID 129453770

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide?
The IUPAC name of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide (CID 129455548) is 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide?
The canonical SMILES for 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide is COc1ccccc1-c1ccc(CC2(C(=O)NCCN3CCCCC3)CCOCC2)cc1.
What is the InChIKey of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide?
The InChIKey is IRZQXEFUZRLBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-31-25-8-4-3-7-24(25)23-11-9-22(10-12-23)21-27(13-19-32-20-14-27)26(30)28-15-18-29-16-5-2-6-17-29/h3-4,7-12H,2,5-6,13-21H2,1H3,(H,28,30).
What are the key properties of 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide?
4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-(2-piperidin-1-ylethyl)oxane-4-carboxamide is sourced from PubChem (CID 129455548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).