N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide

C20H27N3O3 — CID 70708863

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)CCc1cc(=O)[nH]o1
InChIInChI=1S/C20H27N3O3/c1-22(20(25)8-7-18-13-19(24)21-26-18)14-17-9-11-23(12-10-17)15-16-5-3-2-4-6-16/h2-6,13,17H,7-12,14-15H2,1H3,(H,21,24)
InChIKeyQINYCXJVUNXCNE-UHFFFAOYSA-N
MW357.45 g/mol
LogP2.27
Rot. Bonds7

About N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide

N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide (PubChem CID 70708863) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide
PubChem CID70708863
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide
SMILESCN(CC1CCN(Cc2ccccc2)CC1)C(=O)CCc1cc(=O)[nH]o1
InChIInChI=1S/C20H27N3O3/c1-22(20(25)8-7-18-13-19(24)21-26-18)14-17-9-11-23(12-10-17)15-16-5-3-2-4-6-16/h2-6,13,17H,7-12,14-15H2,1H3,(H,21,24)
InChIKeyQINYCXJVUNXCNE-UHFFFAOYSA-N
XLogP2.27
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminophenyl)-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylpropanamide;dihydrochloride
CID 120613151
N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 70754540
N-[(1-benzylpiperidin-4-yl)methyl]-2-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 70777786
1-benzyl-N-[[1-(2-hydroxypropyl)piperidin-4-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 136512341
N-[(1-benzylpyrrolidin-3-yl)methyl]-2-(cyclopropylmethylamino)-N-methylacetamide;dihydrochloride
CID 119884965
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-N-methylmorpholine-2-carboxamide
CID 96579373
N-[(1-benzylpiperidin-4-yl)methyl]-1-ethyl-N-methyl-2-oxopyridine-4-carboxamide
CID 70716067
(2R)-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-2-hydroxy-N-methylacetamide
CID 70783649
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-methyl-2-phenylacetamide
CID 11163946
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-cyclohexyl-N-methylacetamide
CID 70738202
3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63234884
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide (CID 70708863) is N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide is CN(CC1CCN(Cc2ccccc2)CC1)C(=O)CCc1cc(=O)[nH]o1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
The InChIKey is QINYCXJVUNXCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22(20(25)8-7-18-13-19(24)21-26-18)14-17-9-11-23(12-10-17)15-16-5-3-2-4-6-16/h2-6,13,17H,7-12,14-15H2,1H3,(H,21,24).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide?
N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide has a molecular weight of 357.45 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-N-methyl-3-(3-oxo-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 70708863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).