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

C20H28N4O3 — CID 56852480

IUPAC3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCn2cccn2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C20H28N4O3/c1-23-13-7-17(8-14-23)27-18-6-5-16(15-19(18)26-2)20(25)21-9-3-11-24-12-4-10-22-24/h4-6,10,12,15,17H,3,7-9,11,13-14H2,1-2H3,(H,21,25)
InChIKeyHDKYIJFQUQHEKV-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.18
Rot. Bonds8

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

3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 56852480) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID56852480
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESCOc1cc(C(=O)NCCCn2cccn2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C20H28N4O3/c1-23-13-7-17(8-14-23)27-18-6-5-16(15-19(18)26-2)20(25)21-9-3-11-24-12-4-10-22-24/h4-6,10,12,15,17H,3,7-9,11,13-14H2,1-2H3,(H,21,25)
InChIKeyHDKYIJFQUQHEKV-UHFFFAOYSA-N
XLogP2.18
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.18
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

3-fluoro-4-methoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37393720
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide
CID 72928105
N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482785
N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482697
3,4,5-trimethoxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394118
2-(1-methylsulfonylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 25453592
4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide
CID 45488988
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 45201581
N-(3-pyrazol-1-ylpropyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 42291142
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide (CID 56852480) is 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide is COc1cc(C(=O)NCCCn2cccn2)ccc1OC1CCN(C)CC1.
What is the InChIKey of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is HDKYIJFQUQHEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-23-13-7-17(8-14-23)27-18-6-5-16(15-19(18)26-2)20(25)21-9-3-11-24-12-4-10-22-24/h4-6,10,12,15,17H,3,7-9,11,13-14H2,1-2H3,(H,21,25).
What are the key properties of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide?
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 372.47 g/mol, XLogP of 2.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 56852480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).