3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide

C21H28N4O4 — CID 24790139

IUPAC3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCn2cccn2)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C21H28N4O4/c1-16(26)24-13-7-18(8-14-24)29-20-15-17(5-6-19(20)28-2)21(27)22-9-3-11-25-12-4-10-23-25/h4-6,10,12,15,18H,3,7-9,11,13-14H2,1-2H3,(H,22,27)
InChIKeyUFKDRDXHMGTIIA-UHFFFAOYSA-N
MW400.48 g/mol
LogP2.10
Rot. Bonds8

About 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide

3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 24790139) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID24790139
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC Name3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NCCCn2cccn2)cc1OC1CCN(C(C)=O)CC1
InChIInChI=1S/C21H28N4O4/c1-16(26)24-13-7-18(8-14-24)29-20-15-17(5-6-19(20)28-2)21(27)22-9-3-11-25-12-4-10-23-25/h4-6,10,12,15,18H,3,7-9,11,13-14H2,1-2H3,(H,22,27)
InChIKeyUFKDRDXHMGTIIA-UHFFFAOYSA-N
XLogP2.10
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 52.10
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

4-[3-(1-butyltriazol-4-yl)propoxy]-N-[4-[[(3R)-6-ethynyl-3,4-dihydro-2H-pyran-3-yl]-propylamino]butyl]-3-methoxybenzamide
CID 122177641
3-cyclopentyloxy-4-methoxy-N-pyridin-4-yl-benzamide
CID 10041213
4-methoxy-3-pentoxy-N-(2-pyridin-4-ylethyl)benzamide
CID 54208075
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 658961
3,4-diethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 788801
4-({1-[(dimethylamino)sulfonyl]piperidin-4-yl}oxy)-N-ethyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]benzamide
CID 16187695
4-{[1-(2-phenylethyl)piperidin-4-yl]oxy}-N-[2-(1H-pyrazol-1-yl)ethyl]benzamide
CID 16191083
N-[(1-methylpyrazol-4-yl)methyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24790505
N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}benzamide
CID 24791409
[4-[1-[(3-Methyl-1-propylpyrazol-4-yl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24791615
N-((1,5-Dimethyl-1H-pyrazol-4-yl)methyl)-3-((1-isopropylpiperidin-4-yl)oxy)-4-methoxybenzamide
CID 24793427
N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-4-[[1-(2-pyridinylmethyl)-4-piperidinyl]oxy]benzamide
CID 24817125

Frequently Asked Questions

What is the IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide (CID 24790139) is 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide is COc1ccc(C(=O)NCCCn2cccn2)cc1OC1CCN(C(C)=O)CC1.
What is the InChIKey of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is UFKDRDXHMGTIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-16(26)24-13-7-18(8-14-24)29-20-15-17(5-6-19(20)28-2)21(27)22-9-3-11-25-12-4-10-23-25/h4-6,10,12,15,18H,3,7-9,11,13-14H2,1-2H3,(H,22,27).
What are the key properties of 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide?
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 400.48 g/mol, XLogP of 2.10, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 24790139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).