2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride

C17H29Cl2N5O4 — CID 119838834

IUPAC2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride
SMILESCOC1(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H27N5O4.2ClH/c1-13-11-14(20-26-13)19-15(23)12-21-7-9-22(10-8-21)16(24)17(25-2)3-5-18-6-4-17;;/h11,18H,3-10,12H2,1-2H3,(H,19,20,23);2*1H
InChIKeyLKMKHDMHFQMXQX-UHFFFAOYSA-N
MW438.36 g/mol
LogP0.68
Rot. Bonds5

About 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride

2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride (PubChem CID 119838834) has the molecular formula C17H29Cl2N5O4 and a molecular weight of 438.36 g/mol. Its IUPAC name is 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride
PubChem CID119838834
Molecular FormulaC17H29Cl2N5O4
Molecular Weight438.36 g/mol
Exact Mass437.16
IUPAC Name2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride
SMILESCOC1(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)CCNCC1.Cl.Cl
InChIInChI=1S/C17H27N5O4.2ClH/c1-13-11-14(20-26-13)19-15(23)12-21-7-9-22(10-8-21)16(24)17(25-2)3-5-18-6-4-17;;/h11,18H,3-10,12H2,1-2H3,(H,19,20,23);2*1H
InChIKeyLKMKHDMHFQMXQX-UHFFFAOYSA-N
XLogP0.68
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]acetamide
CID 119833406
2-[4-(azetidin-3-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 66201612
4-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 63124886
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 119876665
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 16596717
2-[4-(2-acetamidopropanoyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24645151
1-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 119840066
2-[4-[2-(2-bromo-4,5-dimethoxyphenyl)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 24572927
2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36855004
2-[4-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 60541564
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 36781449

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride?
The IUPAC name of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride (CID 119838834) is 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride.
What is the SMILES notation for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride?
The canonical SMILES for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride is COC1(C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)CCNCC1.Cl.Cl.
What is the InChIKey of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride?
The InChIKey is LKMKHDMHFQMXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O4.2ClH/c1-13-11-14(20-26-13)19-15(23)12-21-7-9-22(10-8-21)16(24)17(25-2)3-5-18-6-4-17;;/h11,18H,3-10,12H2,1-2H3,(H,19,20,23);2*1H.
What are the key properties of 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride?
2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride has a molecular weight of 438.36 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119838834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).