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

C20H25N3O3 — CID 1446584

IUPAC2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(C2(O)CCN(CC(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C20H25N3O3/c1-26-18-6-4-17(5-7-18)20(25)8-11-23(12-9-20)15-19(24)22-14-16-3-2-10-21-13-16/h2-7,10,13,25H,8-9,11-12,14-15H2,1H3,(H,22,24)
InChIKeyHHKYNPRTQPZQNH-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.69
Rot. Bonds6

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

2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 1446584) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
PubChem CID1446584
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
SMILESCOc1ccc(C2(O)CCN(CC(=O)NCc3cccnc3)CC2)cc1
InChIInChI=1S/C20H25N3O3/c1-26-18-6-4-17(5-7-18)20(25)8-11-23(12-9-20)15-19(24)22-14-16-3-2-10-21-13-16/h2-7,10,13,25H,8-9,11-12,14-15H2,1H3,(H,22,24)
InChIKeyHHKYNPRTQPZQNH-UHFFFAOYSA-N
XLogP1.69
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 46162299
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 136524740
N-benzyl-2-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]acetamide
CID 166605994
3-[4-(4-fluorophenyl)-4-hydroxypiperidin-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 91842375
2-(4-hydroxy-4-phenylpiperidin-1-yl)-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 3053609
3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 45194858
3-[4-(4-methoxyphenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-(pyridin-3-ylmethyl)propanamide
CID 108963536
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 8904372
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834
3-acetamido-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 78805890
2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 16668009
2-[(2R,4R)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100736548

Frequently Asked Questions

What is the IUPAC name of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide (CID 1446584) is 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is COc1ccc(C2(O)CCN(CC(=O)NCc3cccnc3)CC2)cc1.
What is the InChIKey of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is HHKYNPRTQPZQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-26-18-6-4-17(5-7-18)20(25)8-11-23(12-9-20)15-19(24)22-14-16-3-2-10-21-13-16/h2-7,10,13,25H,8-9,11-12,14-15H2,1H3,(H,22,24).
What are the key properties of 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide?
2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 1446584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).