N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide

C24H32N2O4 — CID 23723255

IUPACN-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide
SMILESCOCCNC(=O)c1cccc(OC2CCN(C(C)COc3ccccc3)CC2)c1
InChIInChI=1S/C24H32N2O4/c1-19(18-29-21-8-4-3-5-9-21)26-14-11-22(12-15-26)30-23-10-6-7-20(17-23)24(27)25-13-16-28-2/h3-10,17,19,22H,11-16,18H2,1-2H3,(H,25,27)
InChIKeyZNXSZVFPCBIELQ-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.37
Rot. Bonds10

About N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide

N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide (PubChem CID 23723255) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide
PubChem CID23723255
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide
SMILESCOCCNC(=O)c1cccc(OC2CCN(C(C)COc3ccccc3)CC2)c1
InChIInChI=1S/C24H32N2O4/c1-19(18-29-21-8-4-3-5-9-21)26-14-11-22(12-15-26)30-23-10-6-7-20(17-23)24(27)25-13-16-28-2/h3-10,17,19,22H,11-16,18H2,1-2H3,(H,25,27)
InChIKeyZNXSZVFPCBIELQ-UHFFFAOYSA-N
XLogP3.37
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-[1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 25307703
3-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42216218
3-[1-(dimethylsulfamoyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 72935386
N-benzyl-3-[1-[(2R)-4,4,4-trifluorobutan-2-yl]piperidin-4-yl]oxybenzamide
CID 42147497
3-[1-(1,3-benzodioxol-4-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 26330254
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
CID 119497787
3-[1-[2-(1H-imidazol-5-yl)acetyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 72839965
3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
CID 45216288
3-chloro-N-(2-methoxyethyl)-4-[1-[(2R)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 25299524
3-[1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42527160
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
[4-methoxy-2-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 45229358

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide (CID 23723255) is N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide is COCCNC(=O)c1cccc(OC2CCN(C(C)COc3ccccc3)CC2)c1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide?
The InChIKey is ZNXSZVFPCBIELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-19(18-29-21-8-4-3-5-9-21)26-14-11-22(12-15-26)30-23-10-6-7-20(17-23)24(27)25-13-16-28-2/h3-10,17,19,22H,11-16,18H2,1-2H3,(H,25,27).
What are the key properties of N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide?
N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide has a molecular weight of 412.53 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 23723255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).