N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride

C20H33Cl2N3O2 — CID 120889014

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cccc(CN3CCCC3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-25-16-20(7-9-21-10-8-20)15-22-19(24)18-6-4-5-17(13-18)14-23-11-2-3-12-23;;/h4-6,13,21H,2-3,7-12,14-16H2,1H3,(H,22,24);2*1H
InChIKeyYPZKBXVLMKUFOE-UHFFFAOYSA-N
MW418.41 g/mol
LogP2.87
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride (PubChem CID 120889014) has the molecular formula C20H33Cl2N3O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
PubChem CID120889014
Molecular FormulaC20H33Cl2N3O2
Molecular Weight418.41 g/mol
Exact Mass417.19
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride
SMILESCOCC1(CNC(=O)c2cccc(CN3CCCC3)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H31N3O2.2ClH/c1-25-16-20(7-9-21-10-8-20)15-22-19(24)18-6-4-5-17(13-18)14-23-11-2-3-12-23;;/h4-6,13,21H,2-3,7-12,14-16H2,1H3,(H,22,24);2*1H
InChIKeyYPZKBXVLMKUFOE-UHFFFAOYSA-N
XLogP2.87
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 120887481
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-(cyclopropanecarbonylamino)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120891219
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
3-cyclopentyloxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890417
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-pyridin-4-yloxybenzamide;dihydrochloride
CID 120887333
3-(ethylsulfamoyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888580
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 120890173
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)benzamide;dihydrochloride
CID 120890642

Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride (CID 120889014) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride is COCC1(CNC(=O)c2cccc(CN3CCCC3)c2)CCNCC1.Cl.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
The InChIKey is YPZKBXVLMKUFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2.2ClH/c1-25-16-20(7-9-21-10-8-20)15-22-19(24)18-6-4-5-17(13-18)14-23-11-2-3-12-23;;/h4-6,13,21H,2-3,7-12,14-16H2,1H3,(H,22,24);2*1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride has a molecular weight of 418.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide;dihydrochloride is sourced from PubChem (CID 120889014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).