3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide

C23H30ClN3O3 — CID 45216288

IUPAC3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
SMILESCOCCNC(=O)c1ccc(OC2CCN(C(C)Cc3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C23H30ClN3O3/c1-17(15-19-5-3-4-10-25-19)27-12-8-20(9-13-27)30-22-7-6-18(16-21(22)24)23(28)26-11-14-29-2/h3-7,10,16-17,20H,8-9,11-15H2,1-2H3,(H,26,28)
InChIKeyNBABHWNZYWOCJX-UHFFFAOYSA-N
MW431.96 g/mol
LogP3.59
Rot. Bonds9

About 3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide

3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide (PubChem CID 45216288) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
PubChem CID45216288
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide
SMILESCOCCNC(=O)c1ccc(OC2CCN(C(C)Cc3ccccn3)CC2)c(Cl)c1
InChIInChI=1S/C23H30ClN3O3/c1-17(15-19-5-3-4-10-25-19)27-12-8-20(9-13-27)30-22-7-6-18(16-21(22)24)23(28)26-11-14-29-2/h3-7,10,16-17,20H,8-9,11-15H2,1-2H3,(H,26,28)
InChIKeyNBABHWNZYWOCJX-UHFFFAOYSA-N
XLogP3.59
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 53.59
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-chloro-N-(2-methoxyethyl)-4-[1-[(2R)-1-pyridin-2-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 25299524
3-chloro-4-[1-[(2S)-2-hydroxypropanoyl]piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 97286367
3-chloro-4-(1-cycloheptylpiperidin-4-yl)oxy-N-(2-methoxyethyl)benzamide
CID 26407252
4-[1-(2-amino-2-oxoethyl)piperidin-4-yl]oxy-3-chloro-N-(2-methoxyethyl)benzamide
CID 72914427
3-chloro-4-(1-cyclohexylpiperidin-4-yl)oxy-N-(2-methoxyethyl)benzamide
CID 26406628
3-chloro-4-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 25284964
3-chloro-N-cyclopentyl-4-[1-[(2R)-1-pyridin-3-ylpropan-2-yl]piperidin-4-yl]oxybenzamide
CID 42198239
3-chloro-N-(2-methoxyethyl)-4-[1-(oxan-4-yl)piperidin-4-yl]oxybenzamide
CID 42512436
3-chloro-N-(2-methoxyethyl)-4-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-4-yl]oxybenzamide
CID 42241824
4-[1-(1-azabicyclo[2.2.2]octan-3-yl)piperidin-4-yl]oxy-3-chloro-N-(2-methoxyethyl)benzamide
CID 45243304
3-chloro-N-[2-(dimethylamino)ethyl]-4-[1-[(2R)-4-methylsulfanylbutan-2-yl]piperidin-4-yl]oxybenzamide
CID 25365647
N-(2-methoxyethyl)-3-[1-(1-phenoxypropan-2-yl)piperidin-4-yl]oxybenzamide
CID 23723255

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide?
The IUPAC name of 3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide (CID 45216288) is 3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for 3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for 3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide is COCCNC(=O)c1ccc(OC2CCN(C(C)Cc3ccccn3)CC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide?
The InChIKey is NBABHWNZYWOCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3/c1-17(15-19-5-3-4-10-25-19)27-12-8-20(9-13-27)30-22-7-6-18(16-21(22)24)23(28)26-11-14-29-2/h3-7,10,16-17,20H,8-9,11-15H2,1-2H3,(H,26,28).
What are the key properties of 3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide?
3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide has a molecular weight of 431.96 g/mol, XLogP of 3.59, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methoxyethyl)-4-[1-(1-pyridin-2-ylpropan-2-yl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 45216288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).