4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide

C18H25N3O3 — CID 71877650

IUPAC4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
SMILESCN1CCCC(NC(=O)C2COCC(=O)N2Cc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c1-20-9-5-8-15(11-20)19-18(23)16-12-24-13-17(22)21(16)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)
InChIKeyZJBHCBQLIZHLEX-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.62
Rot. Bonds4

About 4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide

4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide (PubChem CID 71877650) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
PubChem CID71877650
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
SMILESCN1CCCC(NC(=O)C2COCC(=O)N2Cc2ccccc2)C1
InChIInChI=1S/C18H25N3O3/c1-20-9-5-8-15(11-20)19-18(23)16-12-24-13-17(22)21(16)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23)
InChIKeyZJBHCBQLIZHLEX-UHFFFAOYSA-N
XLogP0.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-benzyl-N-[(3R)-1-methylpiperidin-3-yl]-5-oxomorpholine-3-carboxamide
CID 124857097
(3R)-4-benzyl-N-(2-methylpiperidin-4-yl)-5-oxomorpholine-3-carboxamide
CID 120601731
(3R)-4-benzyl-N-(cyclopropylmethyl)-5-oxomorpholine-3-carboxamide
CID 97082159
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide
CID 120577030
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119602841
(3R)-4-benzyl-N-(2-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide;hydrochloride
CID 120577029
(3R)-N-[2-(aminomethyl)cyclopentyl]-4-benzyl-5-oxomorpholine-3-carboxamide;hydrochloride
CID 119602840
4-benzyl-N-(2-methylsulfonylethyl)-5-oxomorpholine-3-carboxamide
CID 71877839
4-benzyl-N-(1,3-dihydroxy-2-methylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71792156
(3R)-N-(2-aminoethyl)-4-benzyl-5-oxomorpholine-3-carboxamide
CID 119383741
(3S)-4-benzyl-5-oxo-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]morpholine-3-carboxamide
CID 97086193
(5R)-5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-benzylmorpholin-3-one
CID 119411274

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide?
The IUPAC name of 4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide (CID 71877650) is 4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for 4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide?
The canonical SMILES for 4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide is CN1CCCC(NC(=O)C2COCC(=O)N2Cc2ccccc2)C1.
What is the InChIKey of 4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide?
The InChIKey is ZJBHCBQLIZHLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20-9-5-8-15(11-20)19-18(23)16-12-24-13-17(22)21(16)10-14-6-3-2-4-7-14/h2-4,6-7,15-16H,5,8-13H2,1H3,(H,19,23).
What are the key properties of 4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide?
4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-(1-methylpiperidin-3-yl)-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 71877650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).