4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide

C26H34N2O2 — CID 46951727

IUPAC4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)NCc3ccc(N4CCCCC4)cc3)CCOCC2)c1
InChIInChI=1S/C26H34N2O2/c1-20-16-21(2)18-23(17-20)26(10-14-30-15-11-26)25(29)27-19-22-6-8-24(9-7-22)28-12-4-3-5-13-28/h6-9,16-18H,3-5,10-15,19H2,1-2H3,(H,27,29)
InChIKeyXAAFLSVTNSUTFH-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.66
Rot. Bonds5

About 4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide

4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide (PubChem CID 46951727) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
PubChem CID46951727
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)NCc3ccc(N4CCCCC4)cc3)CCOCC2)c1
InChIInChI=1S/C26H34N2O2/c1-20-16-21(2)18-23(17-20)26(10-14-30-15-11-26)25(29)27-19-22-6-8-24(9-7-22)28-12-4-3-5-13-28/h6-9,16-18H,3-5,10-15,19H2,1-2H3,(H,27,29)
InChIKeyXAAFLSVTNSUTFH-UHFFFAOYSA-N
XLogP4.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dimethylphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]cyclobutane-1-carboxamide
CID 75417030
N-[(4-morpholin-4-ylphenyl)methyl]-4-phenyloxane-4-carboxamide
CID 56922873
4-(3-fluorophenyl)-N-[(3-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide
CID 46977998
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 56922098
N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-4-phenyloxane-4-carboxamide
CID 47085199
5-[[[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]amino]methyl]furan-2-carboxylic acid
CID 119245882
1-[(4-piperidin-1-ylphenyl)methyl]-3-propan-2-ylurea
CID 47278796
N-[(4-morpholin-4-ylphenyl)methyl]cyclohexanecarboxamide
CID 110405120
4-[[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]methyl]benzoic acid
CID 119128001
1-N'-(3,5-dimethylphenyl)-1-N-(4-piperidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981506
4-(3-methylphenyl)-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]oxane-4-carboxamide
CID 92614110
N-[(4-piperidin-1-ylphenyl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704007

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide (CID 46951727) is 4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide is Cc1cc(C)cc(C2(C(=O)NCc3ccc(N4CCCCC4)cc3)CCOCC2)c1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide?
The InChIKey is XAAFLSVTNSUTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-20-16-21(2)18-23(17-20)26(10-14-30-15-11-26)25(29)27-19-22-6-8-24(9-7-22)28-12-4-3-5-13-28/h6-9,16-18H,3-5,10-15,19H2,1-2H3,(H,27,29).
What are the key properties of 4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide?
4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide has a molecular weight of 406.57 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-[(4-piperidin-1-ylphenyl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 46951727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).