2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

C21H27N3O2 — CID 136524740

IUPAC2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(CC2CCN(CC(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-20-6-4-17(5-7-20)13-18-8-11-24(12-9-18)16-21(25)23-15-19-3-2-10-22-14-19/h2-7,10,14,18H,8-9,11-13,15-16H2,1H3,(H,23,25)
InChIKeyLCGUSLFYZZLRQI-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.66
Rot. Bonds7

About 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide

2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 136524740) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID136524740
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(CC2CCN(CC(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C21H27N3O2/c1-26-20-6-4-17(5-7-20)13-18-8-11-24(12-9-18)16-21(25)23-15-19-3-2-10-22-14-19/h2-7,10,14,18H,8-9,11-13,15-16H2,1H3,(H,23,25)
InChIKeyLCGUSLFYZZLRQI-UHFFFAOYSA-N
XLogP2.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 27151351
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46162299
2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 1446584
2-(4-methoxyphenyl)-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16895811
2-(4-benzylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 27151287
N-[(3-methoxyphenyl)methyl]-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 119922266
2-(4-aminopiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119907160
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
2-(4-fluoropiperidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 171701324
2-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 26562397
3-[[1-[2-(4-methoxyphenyl)propyl]piperidin-4-yl]methyl]pyridine
CID 75451917
2-(4-benzylpiperidin-1-yl)-N-(2-methoxyethyl)acetamide
CID 42851078

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 136524740) is 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(CC2CCN(CC(=O)NCc3cccnc3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is LCGUSLFYZZLRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-26-20-6-4-17(5-7-20)13-18-8-11-24(12-9-18)16-21(25)23-15-19-3-2-10-22-14-19/h2-7,10,14,18H,8-9,11-13,15-16H2,1H3,(H,23,25).
What are the key properties of 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 136524740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).