N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide

C21H26N6O4 — CID 56553422

IUPACN-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H26N6O4/c1-15-14-22-20(30)27(15)17-7-3-2-6-16(17)23-21(31)26-12-10-25(11-13-26)19(29)18(28)24-8-4-5-9-24/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,22,30)(H,23,31)
InChIKeyIDQXEZDEMDUXMG-UHFFFAOYSA-N
MW426.48 g/mol
LogP0.77
Rot. Bonds2

About N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide

N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide (PubChem CID 56553422) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
PubChem CID56553422
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC NameN-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1
InChIInChI=1S/C21H26N6O4/c1-15-14-22-20(30)27(15)17-7-3-2-6-16(17)23-21(31)26-12-10-25(11-13-26)19(29)18(28)24-8-4-5-9-24/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,22,30)(H,23,31)
InChIKeyIDQXEZDEMDUXMG-UHFFFAOYSA-N
XLogP0.77
TPSA110.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 56553662
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
4-acetyl-N-(2-pyrazol-1-ylphenyl)piperazine-1-carboxamide
CID 47040881
N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 56503336
1-[(2,4-dimethylphenyl)methyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56553421
N-(2-acetylphenyl)pyrrolidine-1-carboxamide
CID 112724111
N-(2-hydroxyphenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 68992823
N-(1H-indol-3-yl)pyrrolidine-1-carboxamide
CID 7615879
N-(3-hydroxy-2-methylphenyl)piperidine-1-carboxamide
CID 79155888
N-(8-methyl-4-oxo-1H-quinolin-3-yl)pyrrolidine-1-carboxamide
CID 6484351
4-methoxy-N-[2-[[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]carbamoylamino]ethyl]benzamide
CID 56554813
N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 56503212

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide (CID 56553422) is N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide is Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1.
What is the InChIKey of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide?
The InChIKey is IDQXEZDEMDUXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-15-14-22-20(30)27(15)17-7-3-2-6-16(17)23-21(31)26-12-10-25(11-13-26)19(29)18(28)24-8-4-5-9-24/h2-3,6-7,14H,4-5,8-13H2,1H3,(H,22,30)(H,23,31).
What are the key properties of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide?
N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide is sourced from PubChem (CID 56553422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).