3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide

C19H25ClN4O3 — CID 25284964

IUPAC3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC2CCN(Cc3ncc[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C19H25ClN4O3/c1-26-11-8-23-19(25)14-2-3-17(16(20)12-14)27-15-4-9-24(10-5-15)13-18-21-6-7-22-18/h2-3,6-7,12,15H,4-5,8-11,13H2,1H3,(H,21,22)(H,23,25)
InChIKeyVFOYRPMABXCWFV-UHFFFAOYSA-N
MW392.89 g/mol
LogP2.48
Rot. Bonds8

About 3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide

3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide (PubChem CID 25284964) has the molecular formula C19H25ClN4O3 and a molecular weight of 392.89 g/mol. Its IUPAC name is 3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
PubChem CID25284964
Molecular FormulaC19H25ClN4O3
Molecular Weight392.89 g/mol
Exact Mass392.16
IUPAC Name3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(OC2CCN(Cc3ncc[nH]3)CC2)c(Cl)c1
InChIInChI=1S/C19H25ClN4O3/c1-26-11-8-23-19(25)14-2-3-17(16(20)12-14)27-15-4-9-24(10-5-15)13-18-21-6-7-22-18/h2-3,6-7,12,15H,4-5,8-11,13H2,1H3,(H,21,22)(H,23,25)
InChIKeyVFOYRPMABXCWFV-UHFFFAOYSA-N
XLogP2.48
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(2-methoxyethyl)-4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxybenzamide
CID 42241824
3-chloro-4-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 45242115
4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]oxy-3-chloro-N-(2-methoxyethyl)benzamide
CID 72914427
3-chloro-N-(2-methoxyethyl)-4-[1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]oxybenzamide
CID 42592233
3-chloro-4-[1-[(2-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42190947
3-chloro-N-(2-methoxyethyl)-4-[1-(oxan-4-yl)piperidin-4-yl]oxybenzamide
CID 42512436
3-chloro-4-(1-cycloheptylpiperidin-4-yl)oxy-N-(2-methoxyethyl)benzamide
CID 26407252
3-chloro-4-(1-cyclohexylpiperidin-4-yl)oxy-N-(2-methoxyethyl)benzamide
CID 26406628
3-chloro-N-(2-methoxyethyl)-4-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]oxybenzamide
CID 25461070
3-chloro-4-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 97286367
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
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide (CID 25284964) is 3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(OC2CCN(Cc3ncc[nH]3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
The InChIKey is VFOYRPMABXCWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3/c1-26-11-8-23-19(25)14-2-3-17(16(20)12-14)27-15-4-9-24(10-5-15)13-18-21-6-7-22-18/h2-3,6-7,12,15H,4-5,8-11,13H2,1H3,(H,21,22)(H,23,25).
What are the key properties of 3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide?
3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide has a molecular weight of 392.89 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 25284964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).