N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide

C22H32N5O2+ — CID 9328321

IUPACN-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1
InChIInChI=1S/C22H31N5O2/c1-2-29-20-10-6-5-9-19(20)26-15-13-25(14-16-26)17-22(28)24-21-11-12-23-27(21)18-7-3-4-8-18/h5-6,9-12,18H,2-4,7-8,13-17H2,1H3,(H,24,28)/p+1
InChIKeyIFNSKFIOAHZAEB-UHFFFAOYSA-O
MW398.53 g/mol
LogP1.74
Rot. Bonds7

About N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide

N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 9328321) has the molecular formula C22H32N5O2+ and a molecular weight of 398.53 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID9328321
Molecular FormulaC22H32N5O2+
Molecular Weight398.53 g/mol
Exact Mass398.26
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1
InChIInChI=1S/C22H31N5O2/c1-2-29-20-10-6-5-9-19(20)26-15-13-25(14-16-26)17-22(28)24-21-11-12-23-27(21)18-7-3-4-8-18/h5-6,9-12,18H,2-4,7-8,13-17H2,1H3,(H,24,28)/p+1
InChIKeyIFNSKFIOAHZAEB-UHFFFAOYSA-O
XLogP1.74
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetohydrazide
CID 7060420
N-(4-ethoxyphenyl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8703710
2-[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-2-ium-2-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 11931815
N-(1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2161884
N-(2-cyclopentylpyrazol-3-yl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8871753
2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8691425
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]ethanone
CID 7417896
N-(3-cyanothiophen-2-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2406609
N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022496
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8703770
2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 51145877

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide (CID 9328321) is N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide is CCOc1ccccc1N1CC[NH+](CC(=O)Nc2ccnn2C2CCCC2)CC1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is IFNSKFIOAHZAEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H31N5O2/c1-2-29-20-10-6-5-9-19(20)26-15-13-25(14-16-26)17-22(28)24-21-11-12-23-27(21)18-7-3-4-8-18/h5-6,9-12,18H,2-4,7-8,13-17H2,1H3,(H,24,28)/p+1.
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide?
N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9328321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).