4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide

C23H26N4O2 — CID 56583904

IUPAC4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-23(24-20-7-6-8-21(19-20)26-11-4-5-12-26)27-15-13-25(14-16-27)17-18-29-22-9-2-1-3-10-22/h1-12,19H,13-18H2,(H,24,28)
InChIKeyGLZMFCPMUKEFEY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.71
Rot. Bonds6

About 4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide

4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide (PubChem CID 56583904) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
PubChem CID56583904
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cccc(-n2cccc2)c1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C23H26N4O2/c28-23(24-20-7-6-8-21(19-20)26-11-4-5-12-26)27-15-13-25(14-16-27)17-18-29-22-9-2-1-3-10-22/h1-12,19H,13-18H2,(H,24,28)
InChIKeyGLZMFCPMUKEFEY-UHFFFAOYSA-N
XLogP3.71
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 47050346
N-(3-pyrrol-1-ylphenyl)azocane-1-carboxamide
CID 56584263
N-(3-chlorophenyl)-4-[2-(4-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110409809
N-(1H-indazol-5-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72879757
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
4-[2-(2-chlorophenoxy)ethyl]-N-(3-chlorophenyl)piperazine-1-carboxamide
CID 35962342
N-[3-[4-(2-phenoxyethyl)piperazine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 35604613
4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide
CID 86967084
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide (CID 56583904) is 4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide is O=C(Nc1cccc(-n2cccc2)c1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
The InChIKey is GLZMFCPMUKEFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(24-20-7-6-8-21(19-20)26-11-4-5-12-26)27-15-13-25(14-16-27)17-18-29-22-9-2-1-3-10-22/h1-12,19H,13-18H2,(H,24,28).
What are the key properties of 4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide?
4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 56583904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).