4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride

C20H35Cl2N3O2 — CID 120645298

IUPAC4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCc2cccc(CN(C)C(C)C)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H33N3O2.2ClH/c1-16(2)23(3)14-18-7-5-6-17(12-18)13-22-19(24)20(15-25-4)8-10-21-11-9-20;;/h5-7,12,16,21H,8-11,13-15H2,1-4H3,(H,22,24);2*1H
InChIKeyXEEGHBVPEVFHOA-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.00
Rot. Bonds8

About 4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride

4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 120645298) has the molecular formula C20H35Cl2N3O2 and a molecular weight of 420.43 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
PubChem CID120645298
Molecular FormulaC20H35Cl2N3O2
Molecular Weight420.43 g/mol
Exact Mass419.21
IUPAC Name4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
SMILESCOCC1(C(=O)NCc2cccc(CN(C)C(C)C)c2)CCNCC1.Cl.Cl
InChIInChI=1S/C20H33N3O2.2ClH/c1-16(2)23(3)14-18-7-5-6-17(12-18)13-22-19(24)20(15-25-4)8-10-21-11-9-20;;/h5-7,12,16,21H,8-11,13-15H2,1-4H3,(H,22,24);2*1H
InChIKeyXEEGHBVPEVFHOA-UHFFFAOYSA-N
XLogP3.00
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-[[3-[(dimethylamino)methyl]phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;dihydrochloride
CID 120641219
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
N-[(3-ethoxyphenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120621206
4-(methoxymethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120617133
4-(methoxymethyl)-N-[[4-(methoxymethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120621722
1-amino-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclohexane-1-carboxamide
CID 119863121
N-[3-[[[4-(methoxymethyl)piperidine-4-carbonyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120645145
4-(methoxymethyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120618412
4-(methoxymethyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120622513
4-(methoxymethyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120617087
N-[[4-(ethylcarbamoyl)phenyl]methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621041
N-[2-(3-chlorophenyl)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120618096

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride (CID 120645298) is 4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride is COCC1(C(=O)NCc2cccc(CN(C)C(C)C)c2)CCNCC1.Cl.Cl.
What is the InChIKey of 4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is XEEGHBVPEVFHOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O2.2ClH/c1-16(2)23(3)14-18-7-5-6-17(12-18)13-22-19(24)20(15-25-4)8-10-21-11-9-20;;/h5-7,12,16,21H,8-11,13-15H2,1-4H3,(H,22,24);2*1H.
What are the key properties of 4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride?
4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 420.43 g/mol, XLogP of 3.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[[3-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 120645298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).