N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride

C13H24Cl2N4O2 — CID 120887674

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride
SMILESCOCC1(CNC(=O)Cc2ccn[nH]2)CCNCC1.Cl.Cl
InChIInChI=1S/C13H22N4O2.2ClH/c1-19-10-13(3-6-14-7-4-13)9-15-12(18)8-11-2-5-16-17-11;;/h2,5,14H,3-4,6-10H2,1H3,(H,15,18)(H,16,17);2*1H
InChIKeyZOEQEOQQQRVLDD-UHFFFAOYSA-N
MW339.27 g/mol
LogP0.93
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride (PubChem CID 120887674) has the molecular formula C13H24Cl2N4O2 and a molecular weight of 339.27 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride
PubChem CID120887674
Molecular FormulaC13H24Cl2N4O2
Molecular Weight339.27 g/mol
Exact Mass338.13
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride
SMILESCOCC1(CNC(=O)Cc2ccn[nH]2)CCNCC1.Cl.Cl
InChIInChI=1S/C13H22N4O2.2ClH/c1-19-10-13(3-6-14-7-4-13)9-15-12(18)8-11-2-5-16-17-11;;/h2,5,14H,3-4,6-10H2,1H3,(H,15,18)(H,16,17);2*1H
InChIKeyZOEQEOQQQRVLDD-UHFFFAOYSA-N
XLogP0.93
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891811
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide;hydrochloride
CID 120888032
2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890024
2-(2,3-difluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120890498
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(4-nitrophenyl)acetamide
CID 120888033
2-(5-chloro-2-methoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891160
5-ethyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 120890188
2-(2,5-dimethoxyphenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120891146
2-(1,3-benzodioxol-5-yl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]acetamide;hydrochloride
CID 120892133
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4,5-dimethyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 120892057
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride (CID 120887674) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride is COCC1(CNC(=O)Cc2ccn[nH]2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride?
The InChIKey is ZOEQEOQQQRVLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2.2ClH/c1-19-10-13(3-6-14-7-4-13)9-15-12(18)8-11-2-5-16-17-11;;/h2,5,14H,3-4,6-10H2,1H3,(H,15,18)(H,16,17);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride has a molecular weight of 339.27 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1H-pyrazol-5-yl)acetamide;dihydrochloride is sourced from PubChem (CID 120887674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).