N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide

C18H25N5O2 — CID 136511842

IUPACN-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C18H25N5O2/c1-3-25-17-7-5-4-6-16(17)20-18(24)14-22-8-10-23(11-9-22)15-12-19-21(2)13-15/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,20,24)
InChIKeyATNHKHNMZJVJTB-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.58
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide

N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide (PubChem CID 136511842) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide
PubChem CID136511842
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC NameN-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(c2cnn(C)c2)CC1
InChIInChI=1S/C18H25N5O2/c1-3-25-17-7-5-4-6-16(17)20-18(24)14-22-8-10-23(11-9-22)15-12-19-21(2)13-15/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,20,24)
InChIKeyATNHKHNMZJVJTB-UHFFFAOYSA-N
XLogP1.58
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(2-ethoxyphenyl)-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34942442
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
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CID 86345330
N-(2-ethoxyphenyl)-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
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2-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 55864159
2-[4-(2,5-dichlorophenyl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 163391607
2-[4-[2-(2-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24507184
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 17255125
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide (CID 136511842) is N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide is CCOc1ccccc1NC(=O)CN1CCN(c2cnn(C)c2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide?
The InChIKey is ATNHKHNMZJVJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-3-25-17-7-5-4-6-16(17)20-18(24)14-22-8-10-23(11-9-22)15-12-19-21(2)13-15/h4-7,12-13H,3,8-11,14H2,1-2H3,(H,20,24).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide?
N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide has a molecular weight of 343.43 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]acetamide is sourced from PubChem (CID 136511842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).