3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide

C21H28N4O3 — CID 72928105

IUPAC3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCNc2cccnc2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C21H28N4O3/c1-25-12-7-18(8-13-25)28-19-6-5-16(14-20(19)27-2)21(26)24-11-10-23-17-4-3-9-22-15-17/h3-6,9,14-15,18,23H,7-8,10-13H2,1-2H3,(H,24,26)
InChIKeyWPVYWTRGLOMURD-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.41
Rot. Bonds8

About 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide

3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide (PubChem CID 72928105) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide
PubChem CID72928105
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCNc2cccnc2)ccc1OC1CCN(C)CC1
InChIInChI=1S/C21H28N4O3/c1-25-12-7-18(8-13-25)28-19-6-5-16(14-20(19)27-2)21(26)24-11-10-23-17-4-3-9-22-15-17/h3-6,9,14-15,18,23H,7-8,10-13H2,1-2H3,(H,24,26)
InChIKeyWPVYWTRGLOMURD-UHFFFAOYSA-N
XLogP2.41
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482697
N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482785
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide
CID 56713606
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 45201581
4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)oxy-N-(2-pyridin-3-yloxypropyl)benzamide
CID 45231940
4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-propylbenzamide
CID 45488988
4-(1-acetylpiperidin-4-yl)oxy-3-methoxy-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 72936788
3-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 72865235
4-cyclopentyloxy-3-methoxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47065905
4-(1-cyclopentylpiperidin-4-yl)oxy-N-ethyl-3-methoxybenzamide
CID 72907605

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide?
The IUPAC name of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide (CID 72928105) is 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide?
The canonical SMILES for 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide is COc1cc(C(=O)NCCNc2cccnc2)ccc1OC1CCN(C)CC1.
What is the InChIKey of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide?
The InChIKey is WPVYWTRGLOMURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-25-12-7-18(8-13-25)28-19-6-5-16(14-20(19)27-2)21(26)24-11-10-23-17-4-3-9-22-15-17/h3-6,9,14-15,18,23H,7-8,10-13H2,1-2H3,(H,24,26).
What are the key properties of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide?
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide has a molecular weight of 384.48 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 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-[2-(pyridin-3-ylamino)ethyl]benzamide is sourced from PubChem (CID 72928105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).