4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide

C23H27N5O2 — CID 86967084

IUPAC4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1cccc(-n2cccn2)c1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C23H27N5O2/c29-23(24-19-20-6-4-7-21(18-20)28-11-5-10-25-28)27-14-12-26(13-15-27)16-17-30-22-8-2-1-3-9-22/h1-11,18H,12-17,19H2,(H,24,29)
InChIKeyMLDBSLBRQGABGU-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.78
Rot. Bonds7

About 4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide

4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 86967084) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide
PubChem CID86967084
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide
SMILESO=C(NCc1cccc(-n2cccn2)c1)N1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C23H27N5O2/c29-23(24-19-20-6-4-7-21(18-20)28-11-5-10-25-28)27-14-12-26(13-15-27)16-17-30-22-8-2-1-3-9-22/h1-11,18H,12-17,19H2,(H,24,29)
InChIKeyMLDBSLBRQGABGU-UHFFFAOYSA-N
XLogP2.78
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)methyl]-N-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 86967117
N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 47050346
2-benzyl-N-[(3-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboxamide
CID 86967097
2-methyl-1-(2-phenoxyethyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111791291
4-(2-phenoxyethyl)-N-pyridin-2-ylpiperazine-1-carboxamide
CID 87011077
4-(2-phenoxyethyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56583904
N-benzyl-4-[2-(2-methylphenoxy)ethyl]piperazine-1-carboxamide
CID 110638269
4-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperidine-1-carboxamide
CID 86967337
4-benzyl-N-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27517759
N-(2,5-dimethylpyrazol-3-yl)-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 72843451
N-benzyl-4-(2-propoxyethyl)piperazine-1-carboxamide
CID 119073232
N-[(3-pyrazol-1-ylphenyl)methyl]-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 86965061

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide (CID 86967084) is 4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide is O=C(NCc1cccc(-n2cccn2)c1)N1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is MLDBSLBRQGABGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-23(24-19-20-6-4-7-21(18-20)28-11-5-10-25-28)27-14-12-26(13-15-27)16-17-30-22-8-2-1-3-9-22/h1-11,18H,12-17,19H2,(H,24,29).
What are the key properties of 4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide?
4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenoxyethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 86967084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).