(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone

C16H22N2O2 — CID 168940338

IUPAC(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone
SMILESCN1CC[C@H]1C(=O)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-17-8-7-15(17)16(19)18-9-10-20-14(12-18)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3/t14?,15-/m0/s1
InChIKeyZXNHUXQJGFYIAO-LOACHALJSA-N
MW274.36 g/mol
LogP1.16
Rot. Bonds3

About (2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone

(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone (PubChem CID 168940338) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone.

Molecular Properties

Compound Name(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone
PubChem CID168940338
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone
SMILESCN1CC[C@H]1C(=O)N1CCOC(Cc2ccccc2)C1
InChIInChI=1S/C16H22N2O2/c1-17-8-7-15(17)16(19)18-9-10-20-14(12-18)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3/t14?,15-/m0/s1
InChIKeyZXNHUXQJGFYIAO-LOACHALJSA-N
XLogP1.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120641337
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
2-benzyl-N-(1-ethylpiperidin-4-yl)morpholine-4-carboxamide
CID 84596388
2-benzylmorpholine-4-carbaldehyde;1,2-dimethylazetidine;ethane
CID 168940416
(2R)-2-benzyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)morpholine-4-carboxamide
CID 97336828
2-benzyl-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 75445414
2-benzyl-N-(3-fluoropropyl)morpholine-4-carboxamide
CID 84596460
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
CID 97337261
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922

Frequently Asked Questions

What is the IUPAC name of (2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone?
The IUPAC name of (2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone (CID 168940338) is (2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone.
What is the SMILES notation for (2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone?
The canonical SMILES for (2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone is CN1CC[C@H]1C(=O)N1CCOC(Cc2ccccc2)C1.
What is the InChIKey of (2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone?
The InChIKey is ZXNHUXQJGFYIAO-LOACHALJSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-17-8-7-15(17)16(19)18-9-10-20-14(12-18)11-13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3/t14?,15-/m0/s1.
What are the key properties of (2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone?
(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone is sourced from PubChem (CID 168940338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).