N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide

C18H21N5O5 — CID 166004921

IUPACN-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ccn[nH]3)CC1)OCO2
InChIInChI=1S/C18H21N5O5/c1-26-14-9-16-15(27-11-28-16)8-13(14)20-17(24)10-22-4-6-23(7-5-22)18(25)12-2-3-19-21-12/h2-3,8-9H,4-7,10-11H2,1H3,(H,19,21)(H,20,24)
InChIKeyNTKLMBGOMIQJCK-UHFFFAOYSA-N
MW387.40 g/mol
LogP0.54
Rot. Bonds5

About N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide

N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 166004921) has the molecular formula C18H21N5O5 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide
PubChem CID166004921
Molecular FormulaC18H21N5O5
Molecular Weight387.40 g/mol
Exact Mass387.15
IUPAC NameN-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCOc1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ccn[nH]3)CC1)OCO2
InChIInChI=1S/C18H21N5O5/c1-26-14-9-16-15(27-11-28-16)8-13(14)20-17(24)10-22-4-6-23(7-5-22)18(25)12-2-3-19-21-12/h2-3,8-9H,4-7,10-11H2,1H3,(H,19,21)(H,20,24)
InChIKeyNTKLMBGOMIQJCK-UHFFFAOYSA-N
XLogP0.54
TPSA109.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3,4-dihydroxybenzoyl)piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166005006
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1-methyltriazole-4-carbonyl)piperazin-1-yl]acetamide
CID 166004962
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166004891
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]acetamide
CID 147880604
2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166005024
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[2-(oxan-4-yl)acetyl]piperazin-1-yl]acetamide
CID 152934431
2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-N-(6-methoxy-1,3-benzodioxol-5-yl)acetamide
CID 166004983
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-[(2R)-5-oxooxolane-2-carbonyl]piperazin-1-yl]acetamide
CID 147307596
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35229072
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-yl)acetamide
CID 9223352
N-(2,4-dimethoxyphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086226
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 2196705

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide (CID 166004921) is N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide is COc1cc2c(cc1NC(=O)CN1CCN(C(=O)c3ccn[nH]3)CC1)OCO2.
What is the InChIKey of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is NTKLMBGOMIQJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O5/c1-26-14-9-16-15(27-11-28-16)8-13(14)20-17(24)10-22-4-6-23(7-5-22)18(25)12-2-3-19-21-12/h2-3,8-9H,4-7,10-11H2,1H3,(H,19,21)(H,20,24).
What are the key properties of N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide?
N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 387.40 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzodioxol-5-yl)-2-[4-(1H-pyrazole-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 166004921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).