N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide

C28H40N2O2 — CID 46226159

IUPACN,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide
SMILESCCCC(C)CN1CCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)CC1
InChIInChI=1S/C28H40N2O2/c1-5-9-22(4)21-29-18-16-28(17-19-29,25-10-8-11-26(31)20-25)24-14-12-23(13-15-24)27(32)30(6-2)7-3/h8,10-15,20,22,31H,5-7,9,16-19,21H2,1-4H3
InChIKeyYYGANWYSRJGLHQ-UHFFFAOYSA-N
MW436.64 g/mol
LogP5.69
Rot. Bonds9

About N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide

N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide (PubChem CID 46226159) has the molecular formula C28H40N2O2 and a molecular weight of 436.64 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide
PubChem CID46226159
Molecular FormulaC28H40N2O2
Molecular Weight436.64 g/mol
Exact Mass436.31
IUPAC NameN,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide
SMILESCCCC(C)CN1CCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)CC1
InChIInChI=1S/C28H40N2O2/c1-5-9-22(4)21-29-18-16-28(17-19-29,25-10-8-11-26(31)20-25)24-14-12-23(13-15-24)27(32)30(6-2)7-3/h8,10-15,20,22,31H,5-7,9,16-19,21H2,1-4H3
InChIKeyYYGANWYSRJGLHQ-UHFFFAOYSA-N
XLogP5.69
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide (CID 46226159) is N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide is CCCC(C)CN1CCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)CC1.
What is the InChIKey of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide?
The InChIKey is YYGANWYSRJGLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2O2/c1-5-9-22(4)21-29-18-16-28(17-19-29,25-10-8-11-26(31)20-25)24-14-12-23(13-15-24)27(32)30(6-2)7-3/h8,10-15,20,22,31H,5-7,9,16-19,21H2,1-4H3.
What are the key properties of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide?
N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide has a molecular weight of 436.64 g/mol, XLogP of 5.69, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-methylpentyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 46226159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).