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

C30H36N2O2 — CID 22729898

IUPACN,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C30H36N2O2/c1-3-32(4-2)29(34)25-13-15-26(16-14-25)30(27-11-8-12-28(33)23-27)18-21-31(22-19-30)20-17-24-9-6-5-7-10-24/h5-16,23,33H,3-4,17-22H2,1-2H3
InChIKeyVIGCTORXUURCGO-UHFFFAOYSA-N
MW456.63 g/mol
LogP5.50
Rot. Bonds8

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

N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide (PubChem CID 22729898) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide
PubChem CID22729898
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC NameN,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CCc3ccccc3)CC2)cc1
InChIInChI=1S/C30H36N2O2/c1-3-32(4-2)29(34)25-13-15-26(16-14-25)30(27-11-8-12-28(33)23-27)18-21-31(22-19-30)20-17-24-9-6-5-7-10-24/h5-16,23,33H,3-4,17-22H2,1-2H3
InChIKeyVIGCTORXUURCGO-UHFFFAOYSA-N
XLogP5.50
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rel-4-((R)-((2S,5R)-2,5-Dimethyl-4-(2-propen-1-yl)-1-piperazinyl)(3-hydroxyphenyl)methyl)-N,N-diethylbenzamide
CID 119029
4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 2494
4-(1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidin-3-yl)-N,N-diethylbenzamide
CID 9822639
4-[(S)-((2R,5S)-4-Allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamide
CID 10252438
N,N-Diethyl-4-[(3-hydroxy-phenyl)-(8-methyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 11269707
(+)-3-((alphaR)-alpha-((2S,5R)-4-allyl-2,5-dimethyl-1-piperazinyl)-3-hydroxybenzyl)-N-methyl-N-phenethylbenzamide
CID 11827173
Biphenyl-4-carboxylic acid {4-[(5-hydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-propyl-amino]-butyl}-amide
CID 19592091
N,N-diethyl-4-[(3-hydroxyphenyl)-(10-prop-2-enyl-9,10-diazatricyclo[4.2.1.12,5]decan-9-yl)methyl]benzamide
CID 53258063
N,N-diethyl-4-[(3-hydroxyphenyl)-(7-prop-2-enyl-2,7-diazatricyclo[4.4.0.03,8]decan-2-yl)methyl]benzamide
CID 58313375
3-[(4-Methylpiperazin-1-yl)carbonyl]-2-naphthol
CID 698250
N-Ethyl-4-[(3-hydroxy-phenyl)-(8-phenethyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-methyl]-benzamide
CID 44306748
4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-ylidene)-(3-hydroxy-phenyl)-methyl]-N-ethyl-benzamide
CID 44307176

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide (CID 22729898) is N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide is CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CCc3ccccc3)CC2)cc1.
What is the InChIKey of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide?
The InChIKey is VIGCTORXUURCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-3-32(4-2)29(34)25-13-15-26(16-14-25)30(27-11-8-12-28(33)23-27)18-21-31(22-19-30)20-17-24-9-6-5-7-10-24/h5-16,23,33H,3-4,17-22H2,1-2H3.
What are the key properties of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide?
N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-(2-phenylethyl)piperidin-4-yl]benzamide has a molecular weight of 456.63 g/mol, XLogP of 5.50, 8 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-phenylethyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 22729898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).