(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone

C18H26N2O2 — CID 120641337

IUPAC(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCOC(Cc3ccccc3)C2)CCN1
InChIInChI=1S/C18H26N2O2/c1-14-11-16(7-8-19-14)18(21)20-9-10-22-17(13-20)12-15-5-3-2-4-6-15/h2-6,14,16-17,19H,7-13H2,1H3/t14-,16-,17?/m0/s1
InChIKeyJDLYOLDDPXXXLR-CCWDIYBNSA-N
MW302.42 g/mol
LogP1.84
Rot. Bonds3

About (2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone

(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (PubChem CID 120641337) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
PubChem CID120641337
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCOC(Cc3ccccc3)C2)CCN1
InChIInChI=1S/C18H26N2O2/c1-14-11-16(7-8-19-14)18(21)20-9-10-22-17(13-20)12-15-5-3-2-4-6-15/h2-6,14,16-17,19H,7-13H2,1H3/t14-,16-,17?/m0/s1
InChIKeyJDLYOLDDPXXXLR-CCWDIYBNSA-N
XLogP1.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-benzylmorpholin-4-yl)-[(2S)-1-methylazetidin-2-yl]methanone
CID 168940338
[(2S,4S)-2-methylpiperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone;hydrochloride
CID 120631837
(2-benzylpyrrolidin-1-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone
CID 120619708
[2-(4-fluorophenyl)morpholin-4-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120615823
[(2S,4S)-2-methylpiperidin-4-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 120625537
2-benzyl-N,N-diethylmorpholine-4-carboxamide
CID 110643919
1-[(2R)-2-benzylmorpholin-4-yl]-2-(dimethylamino)ethanone
CID 124615413
[(2R)-2-[(3-chlorophenyl)methyl]morpholin-4-yl]-(oxan-4-yl)methanone
CID 124961439
[(2S,4S)-2-methylpiperidin-4-yl]-(2-thiophen-3-ylmorpholin-4-yl)methanone;hydrochloride
CID 120637241
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413
1-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]piperidin-1-yl]ethanone
CID 110740943
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524

Frequently Asked Questions

What is the IUPAC name of (2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The IUPAC name of (2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone (CID 120641337) is (2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone.
What is the SMILES notation for (2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The canonical SMILES for (2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is C[C@H]1C[C@@H](C(=O)N2CCOC(Cc3ccccc3)C2)CCN1.
What is the InChIKey of (2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
The InChIKey is JDLYOLDDPXXXLR-CCWDIYBNSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-11-16(7-8-19-14)18(21)20-9-10-22-17(13-20)12-15-5-3-2-4-6-15/h2-6,14,16-17,19H,7-13H2,1H3/t14-,16-,17?/m0/s1.
What are the key properties of (2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone?
(2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzylmorpholin-4-yl)-[(2S,4S)-2-methylpiperidin-4-yl]methanone is sourced from PubChem (CID 120641337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).