N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide

C21H30N4O4 — CID 20955487

IUPACN-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
SMILESCOCCN1CCN(C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)C(=O)C1=O
InChIInChI=1S/C21H30N4O4/c1-15-4-5-17(14-16(15)2)22-21(28)24-8-6-18(7-9-24)25-11-10-23(12-13-29-3)19(26)20(25)27/h4-5,14,18H,6-13H2,1-3H3,(H,22,28)
InChIKeyQOMIEUGPQOQCQR-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.62
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide

N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide (PubChem CID 20955487) has the molecular formula C21H30N4O4 and a molecular weight of 402.50 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
PubChem CID20955487
Molecular FormulaC21H30N4O4
Molecular Weight402.50 g/mol
Exact Mass402.23
IUPAC NameN-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
SMILESCOCCN1CCN(C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)C(=O)C1=O
InChIInChI=1S/C21H30N4O4/c1-15-4-5-17(14-16(15)2)22-21(28)24-8-6-18(7-9-24)25-11-10-23(12-13-29-3)19(26)20(25)27/h4-5,14,18H,6-13H2,1-3H3,(H,22,28)
InChIKeyQOMIEUGPQOQCQR-UHFFFAOYSA-N
XLogP1.62
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-cyclopentyl-2,3-dioxopiperazin-1-yl)methyl]-N-(3,4-dimethylphenyl)benzamide
CID 53135499
N-(3,4-dimethylphenyl)-2-(2-methoxyethyl)-3-oxo-1H-isoindole-4-carboxamide
CID 3238535
4-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-chloro-2-methylphenyl)piperidine-1-carboxamide
CID 53030710
ethyl 4-[[4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carbonyl]amino]benzoate
CID 53094534
(3R)-N-(3,4-dimethylphenyl)-3-hydroxypyrrolidine-1-carboxamide
CID 111430925
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
(3R)-N-(3,4-dimethylphenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)pyrrolidine-1-carboxamide
CID 100728995
4-(4-tert-butyltriazol-1-yl)-N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 47000489
(8aR)-2-(2-methoxyethyl)-3-oxo-N-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75368528
N-(4-methoxyphenyl)-4-[3-[(4-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]piperidine-1-carboxamide
CID 53098532
4-butan-2-yl-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113104199
N-(2,4-difluorophenyl)-4-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide
CID 53094546

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide (CID 20955487) is N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide is COCCN1CCN(C2CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)C(=O)C1=O.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide?
The InChIKey is QOMIEUGPQOQCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O4/c1-15-4-5-17(14-16(15)2)22-21(28)24-8-6-18(7-9-24)25-11-10-23(12-13-29-3)19(26)20(25)27/h4-5,14,18H,6-13H2,1-3H3,(H,22,28).
What are the key properties of N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide?
N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[4-(2-methoxyethyl)-2,3-dioxopiperazin-1-yl]piperidine-1-carboxamide is sourced from PubChem (CID 20955487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).