2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride

C21H32Cl2N4O2 — CID 120670295

IUPAC2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H30N4O2.2ClH/c1-14-4-6-18(7-5-14)20(22)21(26)23-12-17-8-10-25(11-9-17)13-19-24-15(2)16(3)27-19;;/h4-7,17,20H,8-13,22H2,1-3H3,(H,23,26);2*1H
InChIKeyDMYMCJIXYJONGN-UHFFFAOYSA-N
MW443.42 g/mol
LogP3.47
Rot. Bonds6

About 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride

2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride (PubChem CID 120670295) has the molecular formula C21H32Cl2N4O2 and a molecular weight of 443.42 g/mol. Its IUPAC name is 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
PubChem CID120670295
Molecular FormulaC21H32Cl2N4O2
Molecular Weight443.42 g/mol
Exact Mass442.19
IUPAC Name2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride
SMILESCc1ccc(C(N)C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)cc1.Cl.Cl
InChIInChI=1S/C21H30N4O2.2ClH/c1-14-4-6-18(7-5-14)20(22)21(26)23-12-17-8-10-25(11-9-17)13-19-24-15(2)16(3)27-19;;/h4-7,17,20H,8-13,22H2,1-3H3,(H,23,26);2*1H
InChIKeyDMYMCJIXYJONGN-UHFFFAOYSA-N
XLogP3.47
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-phenylpropanamide
CID 119884300
2-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 106151685
2-amino-2-(4-methylphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 120669950
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119884318
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 71879030
2-amino-2-(4-methylphenyl)-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]acetamide;dihydrochloride
CID 120669768
4-acetyl-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 119159287
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 56787262
cis-(1S,2R)-2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 124697126
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-1-phenyl-1,2,4-triazole-3-carboxamide
CID 136519450
1-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-3-(1-hydroxybutan-2-yl)urea
CID 111117354
N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 122137114

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride (CID 120670295) is 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride is Cc1ccc(C(N)C(=O)NCC2CCN(Cc3nc(C)c(C)o3)CC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
The InChIKey is DMYMCJIXYJONGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2.2ClH/c1-14-4-6-18(7-5-14)20(22)21(26)23-12-17-8-10-25(11-9-17)13-19-24-15(2)16(3)27-19;;/h4-7,17,20H,8-13,22H2,1-3H3,(H,23,26);2*1H.
What are the key properties of 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride?
2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride has a molecular weight of 443.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]-2-(4-methylphenyl)acetamide;dihydrochloride is sourced from PubChem (CID 120670295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).