2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide

C19H28N2O2 — CID 98756657

IUPAC2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESO=C(CN1CCCC[C@H]1Cc1ccccc1)NC[C@H]1CCOC1
InChIInChI=1S/C19H28N2O2/c22-19(20-13-17-9-11-23-15-17)14-21-10-5-4-8-18(21)12-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t17-,18+/m1/s1
InChIKeyNJMNOHWPPFOYDF-MSOLQXFVSA-N
MW316.44 g/mol
LogP2.24
Rot. Bonds6

About 2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide

2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide (PubChem CID 98756657) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
PubChem CID98756657
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
SMILESO=C(CN1CCCC[C@H]1Cc1ccccc1)NC[C@H]1CCOC1
InChIInChI=1S/C19H28N2O2/c22-19(20-13-17-9-11-23-15-17)14-21-10-5-4-8-18(21)12-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t17-,18+/m1/s1
InChIKeyNJMNOHWPPFOYDF-MSOLQXFVSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 124787391
2-(2-benzylpyrrolidin-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 42888028
N-benzyl-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63249994
N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55626345
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-(dicyclopropylmethyl)acetamide
CID 35564106
3-[(2R)-2-benzylpiperidin-1-yl]propanoic acid
CID 97214231
2-(2-benzylpyrrolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47019562
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 32745635
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 95235752
2-[(2R)-2-benzylpyrrolidin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 94083747
2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide
CID 98857976
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56502136

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The IUPAC name of 2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide (CID 98756657) is 2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The canonical SMILES for 2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide is O=C(CN1CCCC[C@H]1Cc1ccccc1)NC[C@H]1CCOC1.
What is the InChIKey of 2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
The InChIKey is NJMNOHWPPFOYDF-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H28N2O2/c22-19(20-13-17-9-11-23-15-17)14-21-10-5-4-8-18(21)12-16-6-2-1-3-7-16/h1-3,6-7,17-18H,4-5,8-15H2,(H,20,22)/t17-,18+/m1/s1.
What are the key properties of 2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide?
2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide has a molecular weight of 316.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-benzylpiperidin-1-yl]-N-[[(3R)-oxolan-3-yl]methyl]acetamide is sourced from PubChem (CID 98756657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).