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

C23H27N5O3 — CID 56553662

IUPACN-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C23H27N5O3/c1-18-17-24-22(29)28(18)21-10-6-5-9-20(21)25-23(30)27-13-11-26(12-14-27)15-16-31-19-7-3-2-4-8-19/h2-10,17H,11-16H2,1H3,(H,24,29)(H,25,30)
InChIKeyGWDDAEAXVPOYCN-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.70
Rot. Bonds6

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

N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide (PubChem CID 56553662) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
PubChem CID56553662
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
SMILESCc1c[nH]c(=O)n1-c1ccccc1NC(=O)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C23H27N5O3/c1-18-17-24-22(29)28(18)21-10-6-5-9-20(21)25-23(30)27-13-11-26(12-14-27)15-16-31-19-7-3-2-4-8-19/h2-10,17H,11-16H2,1H3,(H,24,29)(H,25,30)
InChIKeyGWDDAEAXVPOYCN-UHFFFAOYSA-N
XLogP2.70
TPSA82.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-oxo-2-pyrrolidin-1-ylacetyl)piperazine-1-carboxamide
CID 56553422
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
1-[2-(3-chlorophenoxy)ethyl]-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56554684
4-(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113105000
4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583904
N-[1-(5-methylfuran-2-yl)ethyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 87000126
N-(2-cyclopentylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72862145
N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72879757
1-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-3-phenoxypropan-1-one
CID 110638149
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 119064710

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide (CID 56553662) is N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide is Cc1c[nH]c(=O)n1-c1ccccc1NC(=O)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
The InChIKey is GWDDAEAXVPOYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-18-17-24-22(29)28(18)21-10-6-5-9-20(21)25-23(30)27-13-11-26(12-14-27)15-16-31-19-7-3-2-4-8-19/h2-10,17H,11-16H2,1H3,(H,24,29)(H,25,30).
What are the key properties of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide?
N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 2.70, 6 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-phenoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 56553662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).