2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide

C26H37N5O5 — CID 172604306

IUPAC2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(CC3CCN(CC=O)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C26H37N5O5/c1-19-2-3-22(16-23(19)31-13-8-24(33)28-26(31)35)36-18-25(34)27-21-6-11-30(12-7-21)17-20-4-9-29(10-5-20)14-15-32/h2-3,15-16,20-21H,4-14,17-18H2,1H3,(H,27,34)(H,28,33,35)
InChIKeyYZYAEURUWMEKFD-UHFFFAOYSA-N
MW499.61 g/mol
LogP1.31
Rot. Bonds9

About 2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide

2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 172604306) has the molecular formula C26H37N5O5 and a molecular weight of 499.61 g/mol. Its IUPAC name is 2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide
PubChem CID172604306
Molecular FormulaC26H37N5O5
Molecular Weight499.61 g/mol
Exact Mass499.28
IUPAC Name2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(CC3CCN(CC=O)CC3)CC2)cc1N1CCC(=O)NC1=O
InChIInChI=1S/C26H37N5O5/c1-19-2-3-22(16-23(19)31-13-8-24(33)28-26(31)35)36-18-25(34)27-21-6-11-30(12-7-21)17-20-4-9-29(10-5-20)14-15-32/h2-3,15-16,20-21H,4-14,17-18H2,1H3,(H,27,34)(H,28,33,35)
InChIKeyYZYAEURUWMEKFD-UHFFFAOYSA-N
XLogP1.31
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide
CID 172604979
N-cyclohexyl-2-[3-[2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetyl]-3,9-diazaspiro[5.5]undecan-9-yl]acetamide
CID 172604127
2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]acetaldehyde;1-methyl-4-(piperidin-4-ylmethyl)piperidine
CID 172604770
4-[[1-[2-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]acetyl]piperidin-4-yl]methyl]piperazine-1-carboxylic acid
CID 175325032
1-[2-chloro-5-[2-[4-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-2-oxoethoxy]phenyl]-1,3-diazinane-2,4-dione
CID 174198515
ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 112977740
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78901883
N-[1-(adamantane-1-carbonyl)piperidin-4-yl]-2-(3,4-dimethylphenoxy)acetamide
CID 108553040
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
2-(3,4-dimethylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386968
N-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-2-(4-ethoxyphenoxy)acetamide
CID 108562193
1-(5-amino-2-methylphenyl)-1,3-diazinane-2,4-dione;hydrochloride
CID 171705611

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide (CID 172604306) is 2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)NC2CCN(CC3CCN(CC=O)CC3)CC2)cc1N1CCC(=O)NC1=O.
What is the InChIKey of 2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is YZYAEURUWMEKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O5/c1-19-2-3-22(16-23(19)31-13-8-24(33)28-26(31)35)36-18-25(34)27-21-6-11-30(12-7-21)17-20-4-9-29(10-5-20)14-15-32/h2-3,15-16,20-21H,4-14,17-18H2,1H3,(H,27,34)(H,28,33,35).
What are the key properties of 2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide?
2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 499.61 g/mol, XLogP of 1.31, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,4-dioxo-1,3-diazinan-1-yl)-4-methylphenoxy]-N-[1-[[1-(2-oxoethyl)piperidin-4-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 172604306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).