4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide

C19H22N2O3 — CID 46214375

IUPAC4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3ccc(O)cc3O)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-13-2-4-15(5-3-13)20-19(24)21-10-8-14(9-11-21)17-7-6-16(22)12-18(17)23/h2-7,12,14,22-23H,8-11H2,1H3,(H,20,24)
InChIKeyNIIIPPQXOXIRFW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.82
Rot. Bonds2

About 4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide

4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide (PubChem CID 46214375) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide
PubChem CID46214375
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(c3ccc(O)cc3O)CC2)cc1
InChIInChI=1S/C19H22N2O3/c1-13-2-4-15(5-3-13)20-19(24)21-10-8-14(9-11-21)17-7-6-16(22)12-18(17)23/h2-7,12,14,22-23H,8-11H2,1H3,(H,20,24)
InChIKeyNIIIPPQXOXIRFW-UHFFFAOYSA-N
XLogP3.82
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide (CID 46214375) is 4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(c3ccc(O)cc3O)CC2)cc1.
What is the InChIKey of 4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
The InChIKey is NIIIPPQXOXIRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-2-4-15(5-3-13)20-19(24)21-10-8-14(9-11-21)17-7-6-16(22)12-18(17)23/h2-7,12,14,22-23H,8-11H2,1H3,(H,20,24).
What are the key properties of 4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide?
4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.82, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dihydroxyphenyl)-N-(4-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46214375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).