4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

C26H36N2O4 — CID 46089269

IUPAC4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C26H36N2O4/c1-26(2,3)20-9-7-18(8-10-20)15-19-11-13-28(14-12-19)25(29)27-21-16-22(30-4)24(32-6)23(17-21)31-5/h7-10,16-17,19H,11-15H2,1-6H3,(H,27,29)
InChIKeyOVVVANUEFSRMRI-UHFFFAOYSA-N
MW440.58 g/mol
LogP5.50
Rot. Bonds6

About 4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide

4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (PubChem CID 46089269) has the molecular formula C26H36N2O4 and a molecular weight of 440.58 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
PubChem CID46089269
Molecular FormulaC26H36N2O4
Molecular Weight440.58 g/mol
Exact Mass440.27
IUPAC Name4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC
InChIInChI=1S/C26H36N2O4/c1-26(2,3)20-9-7-18(8-10-20)15-19-11-13-28(14-12-19)25(29)27-21-16-22(30-4)24(32-6)23(17-21)31-5/h7-10,16-17,19H,11-15H2,1-6H3,(H,27,29)
InChIKeyOVVVANUEFSRMRI-UHFFFAOYSA-N
XLogP5.50
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.58
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-tert-butylphenyl)methyl]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 71958612
4-[2-[(4-methylsulfanylphenyl)methylamino]-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057646
4-(tert-butylsulfonylamino)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 20629076
4-(pyrazol-1-ylmethyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90495359
N-(3,4,5-trimethoxyphenyl)azepane-1-carboxamide
CID 3051874
4-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057643
4-[2-(butylamino)-2-oxoethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53057634
4-(2-phenylethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113108846
4-[(4-methylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 113107087
4-(benzenesulfonyl)-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 90589401
4-(2-aminoethyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866656
4-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 53198889

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide (CID 46089269) is 4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is COc1cc(NC(=O)N2CCC(Cc3ccc(C(C)(C)C)cc3)CC2)cc(OC)c1OC.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
The InChIKey is OVVVANUEFSRMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O4/c1-26(2,3)20-9-7-18(8-10-20)15-19-11-13-28(14-12-19)25(29)27-21-16-22(30-4)24(32-6)23(17-21)31-5/h7-10,16-17,19H,11-15H2,1-6H3,(H,27,29).
What are the key properties of 4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide?
4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide has a molecular weight of 440.58 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46089269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).