4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide

C26H34N2O2 — CID 22729923

IUPAC4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-10-12-22(13-11-21)26(23-6-5-7-24(29)18-23)14-16-27(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,29H,3-4,8-9,14-17,19H2,1-2H3
InChIKeySFZRRWGLLPCDSK-UHFFFAOYSA-N
MW406.57 g/mol
LogP4.67
Rot. Bonds7

About 4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide

4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide (PubChem CID 22729923) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide
PubChem CID22729923
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CC3CC3)CC2)cc1
InChIInChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-10-12-22(13-11-21)26(23-6-5-7-24(29)18-23)14-16-27(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,29H,3-4,8-9,14-17,19H2,1-2H3
InChIKeySFZRRWGLLPCDSK-UHFFFAOYSA-N
XLogP4.67
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.67
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
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
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
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
(8-Hydroxynaphthalen-1-yl)(piperidin-1-yl)methanone
CID 660137

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide?
The IUPAC name of 4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide (CID 22729923) is 4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide?
The canonical SMILES for 4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide is CCN(CC)C(=O)c1ccc(C2(c3cccc(O)c3)CCN(CC3CC3)CC2)cc1.
What is the InChIKey of 4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide?
The InChIKey is SFZRRWGLLPCDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-3-28(4-2)25(30)21-10-12-22(13-11-21)26(23-6-5-7-24(29)18-23)14-16-27(17-15-26)19-20-8-9-20/h5-7,10-13,18,20,29H,3-4,8-9,14-17,19H2,1-2H3.
What are the key properties of 4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide?
4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide has a molecular weight of 406.57 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(cyclopropylmethyl)-4-(3-hydroxyphenyl)piperidin-4-yl]-N,N-diethylbenzamide is sourced from PubChem (CID 22729923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).