(3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride

C20H30ClN3O4 — CID 120887123

IUPAC(3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CCNCC1.Cl
InChIInChI=1S/C20H29N3O4.ClH/c1-26-15-20(7-9-21-10-8-20)14-22-19(25)17-12-27-13-18(24)23(17)11-16-5-3-2-4-6-16;/h2-6,17,21H,7-15H2,1H3,(H,22,25);1H/t17-;/m1./s1
InChIKeyARRXXQJMSHJXJK-UNTBIKODSA-N
MW411.93 g/mol
LogP0.97
Rot. Bonds7

About (3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride

(3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride (PubChem CID 120887123) has the molecular formula C20H30ClN3O4 and a molecular weight of 411.93 g/mol. Its IUPAC name is (3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride
PubChem CID120887123
Molecular FormulaC20H30ClN3O4
Molecular Weight411.93 g/mol
Exact Mass411.19
IUPAC Name(3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CCNCC1.Cl
InChIInChI=1S/C20H29N3O4.ClH/c1-26-15-20(7-9-21-10-8-20)14-22-19(25)17-12-27-13-18(24)23(17)11-16-5-3-2-4-6-16;/h2-6,17,21H,7-15H2,1H3,(H,22,25);1H/t17-;/m1./s1
InChIKeyARRXXQJMSHJXJK-UNTBIKODSA-N
XLogP0.97
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
(3R)-N-(2-amino-2-ethylbutyl)-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119641724
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839
1-[(4-fluorophenyl)methyl]-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 120887115
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride
CID 120577029
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide
CID 120601731
4-benzyl-5-oxo-N-(2-thiophen-2-ylethyl)morpholine-3-carboxamide
CID 56766014
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 120577030
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
(3S)-4-benzyl-N-(5-methyl-1H-pyrazol-4-yl)-5-oxomorpholine-3-carboxamide
CID 97066023

Frequently Asked Questions

What is the IUPAC name of (3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride (CID 120887123) is (3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride is COCC1(CNC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CCNCC1.Cl.
What is the InChIKey of (3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride?
The InChIKey is ARRXXQJMSHJXJK-UNTBIKODSA-N. The full InChI is InChI=1S/C20H29N3O4.ClH/c1-26-15-20(7-9-21-10-8-20)14-22-19(25)17-12-27-13-18(24)23(17)11-16-5-3-2-4-6-16;/h2-6,17,21H,7-15H2,1H3,(H,22,25);1H/t17-;/m1./s1.
What are the key properties of (3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride?
(3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride has a molecular weight of 411.93 g/mol, XLogP of 0.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxomorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120887123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).