N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride

C20H27Cl2N3O3 — CID 120887333

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cccc(Oc3ccncc3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H25N3O3.2ClH/c1-25-15-20(7-11-22-12-8-20)14-23-19(24)16-3-2-4-18(13-16)26-17-5-9-21-10-6-17;;/h2-6,9-10,13,22H,7-8,11-12,14-15H2,1H3,(H,23,24);2*1H
InChIKeyZYISTBURAXPNCT-UHFFFAOYSA-N
MW428.36 g/mol
LogP3.46
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride (PubChem CID 120887333) has the molecular formula C20H27Cl2N3O3 and a molecular weight of 428.36 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
PubChem CID120887333
Molecular FormulaC20H27Cl2N3O3
Molecular Weight428.36 g/mol
Exact Mass427.14
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cccc(Oc3ccncc3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H25N3O3.2ClH/c1-25-15-20(7-11-22-12-8-20)14-23-19(24)16-3-2-4-18(13-16)26-17-5-9-21-10-6-17;;/h2-6,9-10,13,22H,7-8,11-12,14-15H2,1H3,(H,23,24);2*1H
InChIKeyZYISTBURAXPNCT-UHFFFAOYSA-N
XLogP3.46
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.36
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888252
3-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890417
N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
CID 111433205
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 120887377
3-(cyclopropanecarbonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120891219
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 120887481
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120890173
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
CID 120889014
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120890642
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride (CID 120887333) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride is COCC1(CNC(=O)c2cccc(Oc3ccncc3)c2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
The InChIKey is ZYISTBURAXPNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3.2ClH/c1-25-15-20(7-11-22-12-8-20)14-23-19(24)16-3-2-4-18(13-16)26-17-5-9-21-10-6-17;;/h2-6,9-10,13,22H,7-8,11-12,14-15H2,1H3,(H,23,24);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride has a molecular weight of 428.36 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride is sourced from PubChem (CID 120887333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).