N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide

C26H35N3O3 — CID 86972166

IUPACN,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C(C)N2CCCC(COc3ccccc3)C2)c1
InChIInChI=1S/C26H35N3O3/c1-4-28(5-2)26(31)22-12-9-13-23(17-22)27-25(30)20(3)29-16-10-11-21(18-29)19-32-24-14-7-6-8-15-24/h6-9,12-15,17,20-21H,4-5,10-11,16,18-19H2,1-3H3,(H,27,30)
InChIKeyWVWCAWXBYJWTKM-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.29
Rot. Bonds9

About N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide

N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide (PubChem CID 86972166) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide
PubChem CID86972166
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC NameN,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)C(C)N2CCCC(COc3ccccc3)C2)c1
InChIInChI=1S/C26H35N3O3/c1-4-28(5-2)26(31)22-12-9-13-23(17-22)27-25(30)20(3)29-16-10-11-21(18-29)19-32-24-14-7-6-8-15-24/h6-9,12-15,17,20-21H,4-5,10-11,16,18-19H2,1-3H3,(H,27,30)
InChIKeyWVWCAWXBYJWTKM-UHFFFAOYSA-N
XLogP4.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-[3-(phenoxymethyl)piperidin-1-yl]propanamide
CID 86972360
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
methyl 3-[[2-[3-(phenoxymethyl)piperidin-1-yl]acetyl]amino]benzoate
CID 86972356
3-[2-(benzimidazol-1-yl)propanoylamino]-N,N-diethylbenzamide
CID 42893030
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
(3S)-1-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-3-carboxamide
CID 9304789
N-(3-methylphenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972186
3-[1-[1-(3-methylsulfanylanilino)-1-oxopropan-2-yl]piperidin-3-yl]propanoic acid
CID 122101195
3-(cyclohexylmethylamino)-N,N-diethylbenzamide
CID 43081416
N,N-diethyl-3-[(2-hydroxy-2-phenylacetyl)amino]benzamide
CID 111432146
N-(3-methoxyphenyl)-3-(2-pyrrolidin-1-ylpropanoylamino)benzamide
CID 46995483
3-[(2-benzamido-3-methylpentanoyl)amino]-N,N-diethylbenzamide
CID 24626096

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide?
The IUPAC name of N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide (CID 86972166) is N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide.
What is the SMILES notation for N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide?
The canonical SMILES for N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide is CCN(CC)C(=O)c1cccc(NC(=O)C(C)N2CCCC(COc3ccccc3)C2)c1.
What is the InChIKey of N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide?
The InChIKey is WVWCAWXBYJWTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-4-28(5-2)26(31)22-12-9-13-23(17-22)27-25(30)20(3)29-16-10-11-21(18-29)19-32-24-14-7-6-8-15-24/h6-9,12-15,17,20-21H,4-5,10-11,16,18-19H2,1-3H3,(H,27,30).
What are the key properties of N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide?
N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide has a molecular weight of 437.58 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[2-[3-(phenoxymethyl)piperidin-1-yl]propanoylamino]benzamide is sourced from PubChem (CID 86972166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).