N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide

C19H25N5O3 — CID 78889005

IUPACN-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C19H25N5O3/c1-27-14-8-20-18(25)15-22-10-12-23(13-11-22)19(26)16-5-2-3-6-17(16)24-9-4-7-21-24/h2-7,9H,8,10-15H2,1H3,(H,20,25)
InChIKeyYJNQWBHQVRLMCD-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.39
Rot. Bonds7

About N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide

N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide (PubChem CID 78889005) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide
PubChem CID78889005
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC NameN-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(C(=O)c2ccccc2-n2cccn2)CC1
InChIInChI=1S/C19H25N5O3/c1-27-14-8-20-18(25)15-22-10-12-23(13-11-22)19(26)16-5-2-3-6-17(16)24-9-4-7-21-24/h2-7,9H,8,10-15H2,1H3,(H,20,25)
InChIKeyYJNQWBHQVRLMCD-UHFFFAOYSA-N
XLogP0.39
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[4-(naphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 8541485
N-(2-methoxyethyl)-2-[4-(4-phenoxybenzoyl)piperazin-1-yl]acetamide
CID 8541477
2-[4-(5-amino-2-methylbenzoyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 120640503
2-[4-[1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55582276
N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide
CID 8541570
N-(2-methoxyethyl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 33034393
2-[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 78827736
2-[4-(2-amino-2-phenylacetyl)piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 119836348
[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 137339403
[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 137338007
N-[3-(4-ethylpiperazin-1-yl)propyl]-2-pyrazol-1-ylbenzamide
CID 86823053
2-[4-[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperazin-1-yl]-N-(3-methoxypropyl)acetamide
CID 55581996

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide (CID 78889005) is N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide is COCCNC(=O)CN1CCN(C(=O)c2ccccc2-n2cccn2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide?
The InChIKey is YJNQWBHQVRLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-27-14-8-20-18(25)15-22-10-12-23(13-11-22)19(26)16-5-2-3-6-17(16)24-9-4-7-21-24/h2-7,9H,8,10-15H2,1H3,(H,20,25).
What are the key properties of N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(2-pyrazol-1-ylbenzoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 78889005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).