N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide

C22H26N2O3 — CID 60574366

IUPACN-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C)c(OC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-16-8-9-17(2)20(14-16)27-19-10-12-24(13-11-19)21(25)15-23-22(26)18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyHVYRXLXHLWKYDK-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.10
Rot. Bonds5

About N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide

N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 60574366) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID60574366
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESCc1ccc(C)c(OC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-16-8-9-17(2)20(14-16)27-19-10-12-24(13-11-19)21(25)15-23-22(26)18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyHVYRXLXHLWKYDK-UHFFFAOYSA-N
XLogP3.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-[3-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-3-oxopropyl]-1-methylurea
CID 56540351
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
N-[2-[4-(2,5-dimethylpyrrol-1-yl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110743431
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
methyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 110821590
ethyl N-[1-(2-benzamidoacetyl)piperidin-4-yl]carbamate
CID 47932223
N-[2-[4-[(4-methylphenyl)sulfonylamino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 50823425
(E)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-3-(2-fluorophenyl)prop-2-en-1-one
CID 98935945
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,5-dimethylphenoxy)piperidin-1-yl]ethanone
CID 56819074
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
N-[2-[4-(methylsulfonylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110745924

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide (CID 60574366) is N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide is Cc1ccc(C)c(OC2CCN(C(=O)CNC(=O)c3ccccc3)CC2)c1.
What is the InChIKey of N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is HVYRXLXHLWKYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-16-8-9-17(2)20(14-16)27-19-10-12-24(13-11-19)21(25)15-23-22(26)18-6-4-3-5-7-18/h3-9,14,19H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide?
N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 366.46 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,5-dimethylphenoxy)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 60574366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).