3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride

C20H33ClN2O4 — CID 120890902

IUPAC3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(OCC(C)C)c(OC)c2)CCNCC1.Cl
InChIInChI=1S/C20H32N2O4.ClH/c1-15(2)12-26-17-6-5-16(11-18(17)25-4)19(23)22-13-20(14-24-3)7-9-21-10-8-20;/h5-6,11,15,21H,7-10,12-14H2,1-4H3,(H,22,23);1H
InChIKeyCHZVRXZDLKZZAZ-UHFFFAOYSA-N
MW400.95 g/mol
LogP2.90
Rot. Bonds9

About 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride

3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride (PubChem CID 120890902) has the molecular formula C20H33ClN2O4 and a molecular weight of 400.95 g/mol. Its IUPAC name is 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride
PubChem CID120890902
Molecular FormulaC20H33ClN2O4
Molecular Weight400.95 g/mol
Exact Mass400.21
IUPAC Name3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride
SMILESCOCC1(CNC(=O)c2ccc(OCC(C)C)c(OC)c2)CCNCC1.Cl
InChIInChI=1S/C20H32N2O4.ClH/c1-15(2)12-26-17-6-5-16(11-18(17)25-4)19(23)22-13-20(14-24-3)7-9-21-10-8-20;/h5-6,11,15,21H,7-10,12-14H2,1-4H3,(H,22,23);1H
InChIKeyCHZVRXZDLKZZAZ-UHFFFAOYSA-N
XLogP2.90
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.95
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120892173
4-cyclopentyloxy-3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120887531
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,4-dimethylbenzamide;hydrochloride
CID 120891605
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-nitrobenzamide
CID 120887254
3-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-methylbenzamide;hydrochloride
CID 120889122
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide;hydrochloride
CID 120890944
4,5-dimethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide
CID 120891978
4-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890009
4-ethoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-nitrobenzamide
CID 120887298
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[methyl(2-methylpropyl)amino]benzamide
CID 120888691
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-[(propan-2-ylcarbamoylamino)methyl]benzamide;hydrochloride
CID 120887634
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120888968

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride?
The IUPAC name of 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride (CID 120890902) is 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride?
The canonical SMILES for 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride is COCC1(CNC(=O)c2ccc(OCC(C)C)c(OC)c2)CCNCC1.Cl.
What is the InChIKey of 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride?
The InChIKey is CHZVRXZDLKZZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4.ClH/c1-15(2)12-26-17-6-5-16(11-18(17)25-4)19(23)22-13-20(14-24-3)7-9-21-10-8-20;/h5-6,11,15,21H,7-10,12-14H2,1-4H3,(H,22,23);1H.
What are the key properties of 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride?
3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride has a molecular weight of 400.95 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-(2-methylpropoxy)benzamide;hydrochloride is sourced from PubChem (CID 120890902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).