N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide

C20H28N4O2 — CID 46979405

IUPACN-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
SMILESCCn1cc(NC(=O)CN2CCC(Oc3ccccc3C)CC2)c(C)n1
InChIInChI=1S/C20H28N4O2/c1-4-24-13-18(16(3)22-24)21-20(25)14-23-11-9-17(10-12-23)26-19-8-6-5-7-15(19)2/h5-8,13,17H,4,9-12,14H2,1-3H3,(H,21,25)
InChIKeyXVXVPEQVUHTWIN-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.00
Rot. Bonds6

About N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide

N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide (PubChem CID 46979405) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
PubChem CID46979405
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide
SMILESCCn1cc(NC(=O)CN2CCC(Oc3ccccc3C)CC2)c(C)n1
InChIInChI=1S/C20H28N4O2/c1-4-24-13-18(16(3)22-24)21-20(25)14-23-11-9-17(10-12-23)26-19-8-6-5-7-15(19)2/h5-8,13,17H,4,9-12,14H2,1-3H3,(H,21,25)
InChIKeyXVXVPEQVUHTWIN-UHFFFAOYSA-N
XLogP3.00
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)-3-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)urea
CID 45486657
N-(2-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3662930
1-(3-(1-methyl-1H-pyrazol-5-yl)-4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-phenylurea
CID 45486737
N-(1-((methyl(2-(4-methylphenoxy)ethyl)carbamoyl)methyl)-1H-pyrazol-4-yl)-3-phenoxypropanamide
CID 26357859
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N,N-diethylacetamide
CID 5307988
Ethyl 4-(2-{1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetyl)piperazine-1-carboxylate
CID 5308791
2-{8-Methyl-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-phenyl-N-(prop-2-EN-1-YL)acetamide
CID 9550937
2-{1H,4H-Chromeno[4,3-C]pyrazol-1-YL}-1-[4-(2-fluorophenyl)piperazin-1-YL]ethan-1-one
CID 16010667
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-2-[1-(4-ethoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24817666
1-(2-ethoxybenzyl)-N-[3-(1H-pyrazol-1-yl)phenyl]-3-piperidinecarboxamide
CID 24819456
2-[[2-(4-methylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155517652
2-[[2-(4-ethylphenoxy)acetyl]-propan-2-ylamino]-N-pyridazin-4-ylacetamide
CID 155522148

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide?
The IUPAC name of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide (CID 46979405) is N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide is CCn1cc(NC(=O)CN2CCC(Oc3ccccc3C)CC2)c(C)n1.
What is the InChIKey of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide?
The InChIKey is XVXVPEQVUHTWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-24-13-18(16(3)22-24)21-20(25)14-23-11-9-17(10-12-23)26-19-8-6-5-7-15(19)2/h5-8,13,17H,4,9-12,14H2,1-3H3,(H,21,25).
What are the key properties of N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide?
N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide has a molecular weight of 356.47 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-methylpyrazol-4-yl)-2-[4-(2-methylphenoxy)piperidin-1-yl]acetamide is sourced from PubChem (CID 46979405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).