N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

C22H27N3O4 — CID 30837796

IUPACN-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NC2CCN(C(C)=O)CC2)ccc1OCc1cccnc1
InChIInChI=1S/C22H27N3O4/c1-3-28-21-13-18(6-7-20(21)29-15-17-5-4-10-23-14-17)22(27)24-19-8-11-25(12-9-19)16(2)26/h4-7,10,13-14,19H,3,8-9,11-12,15H2,1-2H3,(H,24,27)
InChIKeyIQQSGHRSKQJXBZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.80
Rot. Bonds7

About N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 30837796) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID30837796
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NC2CCN(C(C)=O)CC2)ccc1OCc1cccnc1
InChIInChI=1S/C22H27N3O4/c1-3-28-21-13-18(6-7-20(21)29-15-17-5-4-10-23-14-17)22(27)24-19-8-11-25(12-9-19)16(2)26/h4-7,10,13-14,19H,3,8-9,11-12,15H2,1-2H3,(H,24,27)
InChIKeyIQQSGHRSKQJXBZ-UHFFFAOYSA-N
XLogP2.80
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-(pyridin-3-ylmethoxy)-N-pyrrolidin-3-ylbenzamide;dihydrochloride
CID 119450928
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 46454126
(4-aminopiperidin-1-yl)-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119374059
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
N-cyclohexyl-2-[4-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 138996096
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N-(1-ethylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 30853915
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
N-[2-(cyclohexanecarbonylamino)ethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 55853763
[3-(aminomethyl)pyrrolidin-1-yl]-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 119484480
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-ethoxy-4-(pyridin-4-ylmethoxy)benzamide
CID 55558162
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone;dihydrochloride
CID 120819680

Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (CID 30837796) is N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NC2CCN(C(C)=O)CC2)ccc1OCc1cccnc1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is IQQSGHRSKQJXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-28-21-13-18(6-7-20(21)29-15-17-5-4-10-23-14-17)22(27)24-19-8-11-25(12-9-19)16(2)26/h4-7,10,13-14,19H,3,8-9,11-12,15H2,1-2H3,(H,24,27).
What are the key properties of N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 397.48 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 30837796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).