2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide

C20H31N3O2 — CID 124854189

IUPAC2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide
SMILESCN(CC(=O)NC1CCN(C[C@H]2CCCO2)CC1)Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c1-22(14-17-6-3-2-4-7-17)16-20(24)21-18-9-11-23(12-10-18)15-19-8-5-13-25-19/h2-4,6-7,18-19H,5,8-16H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyWTSFQOUMJFYLMB-LJQANCHMSA-N
MW345.49 g/mol
LogP1.88
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide

2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 124854189) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide
PubChem CID124854189
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide
SMILESCN(CC(=O)NC1CCN(C[C@H]2CCCO2)CC1)Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c1-22(14-17-6-3-2-4-7-17)16-20(24)21-18-9-11-23(12-10-18)15-19-8-5-13-25-19/h2-4,6-7,18-19H,5,8-16H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyWTSFQOUMJFYLMB-LJQANCHMSA-N
XLogP1.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(methyl)amino]-N-cyclohexylacetamide
CID 54808837
N-(1-acetylpiperidin-4-yl)-2-[benzyl(oxolan-2-ylmethyl)amino]acetamide
CID 55995840
3-[4-(dimethylamino)phenyl]-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]propanamide
CID 91761249
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554
4-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 146134662
N-(1-ethylpiperidin-4-yl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86826056
N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]-3-pyridin-4-ylpropanamide
CID 125176299
N-(1-benzylpiperidin-4-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 164638299
N-(benzylsulfamoyl)-1-(oxolan-2-ylmethyl)piperidin-4-amine
CID 56914733
3-N-benzyl-5-N-cyclooctyl-3-N-methyl-4-oxo-1-[[(2S)-oxolan-2-yl]methyl]pyridine-3,5-dicarboxamide
CID 26348037
1-ethyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrazole-3-carboxamide
CID 125172263
3,5-dichloro-4-methyl-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]benzamide
CID 97200263

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide (CID 124854189) is 2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide is CN(CC(=O)NC1CCN(C[C@H]2CCCO2)CC1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is WTSFQOUMJFYLMB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-22(14-17-6-3-2-4-7-17)16-20(24)21-18-9-11-23(12-10-18)15-19-8-5-13-25-19/h2-4,6-7,18-19H,5,8-16H2,1H3,(H,21,24)/t19-/m1/s1.
What are the key properties of 2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide?
2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 345.49 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 124854189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).