2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide

C20H32N4O — CID 95626413

IUPAC2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@@H]1CCCCN1C[C@@H]1CCCN(CC(=O)NCc2ccccn2)C1
InChIInChI=1S/C20H32N4O/c1-17-7-3-5-12-24(17)15-18-8-6-11-23(14-18)16-20(25)22-13-19-9-2-4-10-21-19/h2,4,9-10,17-18H,3,5-8,11-16H2,1H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyXNOSRVUNSYLBJM-QZTJIDSGSA-N
MW344.50 g/mol
LogP2.28
Rot. Bonds6

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

2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 95626413) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID95626413
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
SMILESC[C@@H]1CCCCN1C[C@@H]1CCCN(CC(=O)NCc2ccccn2)C1
InChIInChI=1S/C20H32N4O/c1-17-7-3-5-12-24(17)15-18-8-6-11-23(14-18)16-20(25)22-13-19-9-2-4-10-21-19/h2,4,9-10,17-18H,3,5-8,11-16H2,1H3,(H,22,25)/t17-,18-/m1/s1
InChIKeyXNOSRVUNSYLBJM-QZTJIDSGSA-N
XLogP2.28
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylpiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 108999232
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
2-[(2R)-2-phenylthiomorpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 97214559
2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92626481
2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56803059
2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95609233
2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626006
2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 72894294
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56780375
2-(6-hydroxy-4-propyl-1,4-diazepan-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 74242130
2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92612141
ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
CID 56883612

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide (CID 95626413) is 2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is C[C@@H]1CCCCN1C[C@@H]1CCCN(CC(=O)NCc2ccccn2)C1.
What is the InChIKey of 2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is XNOSRVUNSYLBJM-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H32N4O/c1-17-7-3-5-12-24(17)15-18-8-6-11-23(14-18)16-20(25)22-13-19-9-2-4-10-21-19/h2,4,9-10,17-18H,3,5-8,11-16H2,1H3,(H,22,25)/t17-,18-/m1/s1.
What are the key properties of 2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide?
2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 344.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 95626413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).