3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide

C22H29N3O3 — CID 119556374

IUPAC3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCC2CCCNC2)ccc1OCc1cccnc1
InChIInChI=1S/C22H29N3O3/c1-2-27-21-13-19(22(26)25-12-9-17-5-3-10-23-14-17)7-8-20(21)28-16-18-6-4-11-24-15-18/h4,6-8,11,13,15,17,23H,2-3,5,9-10,12,14,16H2,1H3,(H,25,26)
InChIKeyVQRBEEGMRRGRBL-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.18
Rot. Bonds9

About 3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide

3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 119556374) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound Name3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID119556374
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCCC2CCCNC2)ccc1OCc1cccnc1
InChIInChI=1S/C22H29N3O3/c1-2-27-21-13-19(22(26)25-12-9-17-5-3-10-23-14-17)7-8-20(21)28-16-18-6-4-11-24-15-18/h4,6-8,11,13,15,17,23H,2-3,5,9-10,12,14,16H2,1H3,(H,25,26)
InChIKeyVQRBEEGMRRGRBL-UHFFFAOYSA-N
XLogP3.18
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119450928
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55853763
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(2-pyrrolidin-3-ylethyl)benzamide;dihydrochloride
CID 119537303
3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 46584168
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 43059032
N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 30837796
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of 3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide (CID 119556374) is 3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for 3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for 3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NCCC2CCCNC2)ccc1OCc1cccnc1.
What is the InChIKey of 3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is VQRBEEGMRRGRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-2-27-21-13-19(22(26)25-12-9-17-5-3-10-23-14-17)7-8-20(21)28-16-18-6-4-11-24-15-18/h4,6-8,11,13,15,17,23H,2-3,5,9-10,12,14,16H2,1H3,(H,25,26).
What are the key properties of 3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide?
3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 383.49 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-piperidin-3-ylethyl)-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 119556374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).