N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide

C25H32N2O2 — CID 22729907

IUPACN,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide
SMILESC=CCN1CCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)CC1
InChIInChI=1S/C25H32N2O2/c1-4-16-26-17-14-25(15-18-26,22-8-7-9-23(28)19-22)21-12-10-20(11-13-21)24(29)27(5-2)6-3/h4,7-13,19,28H,1,5-6,14-18H2,2-3H3
InChIKeyGHGXXGRQBXBJPK-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.44
Rot. Bonds7

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

N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide (PubChem CID 22729907) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide
PubChem CID22729907
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide
SMILESC=CCN1CCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)CC1
InChIInChI=1S/C25H32N2O2/c1-4-16-26-17-14-25(15-18-26,22-8-7-9-23(28)19-22)21-12-10-20(11-13-21)24(29)27(5-2)6-3/h4,7-13,19,28H,1,5-6,14-18H2,2-3H3
InChIKeyGHGXXGRQBXBJPK-UHFFFAOYSA-N
XLogP4.44
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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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
Snc 80
CID 123924
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
4-[(8-Aza-bicyclo[3.2.1]oct-3-ylidene)-(4-hydroxy-phenyl)-methyl]-N,N-diethyl-benzamide
CID 16224613
N,N-diethyl-4-(4-(3-hydroxyphenyl)-1-phenethylpiperidin-4-yl)benzamide
CID 22729898
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
4-[(3-hydroxyphenyl)-(10-prop-2-enyl-9,10-diazatricyclo[4.2.1.12,5]decan-9-yl)methyl]-N,N-dimethylbenzamide
CID 53258065
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide?
The IUPAC name of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide (CID 22729907) is N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide?
The canonical SMILES for N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide is C=CCN1CCC(c2ccc(C(=O)N(CC)CC)cc2)(c2cccc(O)c2)CC1.
What is the InChIKey of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide?
The InChIKey is GHGXXGRQBXBJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-4-16-26-17-14-25(15-18-26,22-8-7-9-23(28)19-22)21-12-10-20(11-13-21)24(29)27(5-2)6-3/h4,7-13,19,28H,1,5-6,14-18H2,2-3H3.
What are the key properties of N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide?
N,N-diethyl-4-[4-(3-hydroxyphenyl)-1-prop-2-enylpiperidin-4-yl]benzamide has a molecular weight of 392.54 g/mol, XLogP of 4.44, 7 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-prop-2-enylpiperidin-4-yl]benzamide is sourced from PubChem (CID 22729907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).