2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide

C20H31N3O2 — CID 47000481

IUPAC2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C20H31N3O2/c1-16-7-5-8-17(2)23(16)15-20(24)22(14-19-10-6-12-25-19)13-18-9-3-4-11-21-18/h3-4,9,11,16-17,19H,5-8,10,12-15H2,1-2H3/t16-,17+,19?
InChIKeyHMZLLZQIJPKLFT-JJTKIYQPSA-N
MW345.49 g/mol
LogP2.85
Rot. Bonds6

About 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide

2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 47000481) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID47000481
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)N(Cc1ccccn1)CC1CCCO1
InChIInChI=1S/C20H31N3O2/c1-16-7-5-8-17(2)23(16)15-20(24)22(14-19-10-6-12-25-19)13-18-9-3-4-11-21-18/h3-4,9,11,16-17,19H,5-8,10,12-15H2,1-2H3/t16-,17+,19?
InChIKeyHMZLLZQIJPKLFT-JJTKIYQPSA-N
XLogP2.85
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 95129192
2,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 95149228
3-(4-methyl-1,3-thiazol-5-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 96577763
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 96574084
6-methyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyran-2-carboxamide
CID 99953564
1-cyclohexyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 42099205
1,4,7-trimethyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 46979247
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)cyclobutane-1-carboxamide
CID 131911633
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)propanamide
CID 99928643
N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 144767444
2,6-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 91780551
4-methyl-2-(4-methylpiperidin-1-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 46979215

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide (CID 47000481) is 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide is C[C@@H]1CCC[C@H](C)N1CC(=O)N(Cc1ccccn1)CC1CCCO1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is HMZLLZQIJPKLFT-JJTKIYQPSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-16-7-5-8-17(2)23(16)15-20(24)22(14-19-10-6-12-25-19)13-18-9-3-4-11-21-18/h3-4,9,11,16-17,19H,5-8,10,12-15H2,1-2H3/t16-,17+,19?.
What are the key properties of 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide?
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 345.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 47000481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).