[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone

C18H26N2O2 — CID 124778318

IUPAC[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
SMILESCc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCNC2)[C@@H](C)CO1
InChIInChI=1S/C18H26N2O2/c1-13-6-3-4-8-16(13)17-11-20(14(2)12-22-17)18(21)15-7-5-9-19-10-15/h3-4,6,8,14-15,17,19H,5,7,9-12H2,1-2H3/t14-,15-,17-/m0/s1
InChIKeySFALZMSMOAJHBX-ZOBUZTSGSA-N
MW302.42 g/mol
LogP2.28
Rot. Bonds2

About [(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone

[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone (PubChem CID 124778318) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is [(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
PubChem CID124778318
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
SMILESCc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCNC2)[C@@H](C)CO1
InChIInChI=1S/C18H26N2O2/c1-13-6-3-4-8-16(13)17-11-20(14(2)12-22-17)18(21)15-7-5-9-19-10-15/h3-4,6,8,14-15,17,19H,5,7,9-12H2,1-2H3/t14-,15-,17-/m0/s1
InChIKeySFALZMSMOAJHBX-ZOBUZTSGSA-N
XLogP2.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-morpholin-2-ylmethanone
CID 119798520
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 81203650
(2,5-dimethylmorpholin-4-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119292459
[(2R,4S)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 125135055
[5-methyl-2-(2-methylphenyl)morpholin-4-yl]-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 71999082
(3R)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-3-piperidin-4-ylbutan-1-one
CID 124693668
3-amino-1-[(2R,5R)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]propan-1-one
CID 124596139
2-(cyclopropylamino)-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]ethanone
CID 124696734
(2S)-2-amino-1-[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]butan-1-one
CID 124596152
(2S)-2-amino-1-[(2S,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]pentan-1-one
CID 124682932
5-[5-methyl-2-(2-methylphenyl)morpholine-4-carbonyl]thiophene-2-carboxylic acid
CID 119186209
[2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119333493

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of [(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone (CID 124778318) is [(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for [(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for [(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone is Cc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCNC2)[C@@H](C)CO1.
What is the InChIKey of [(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone?
The InChIKey is SFALZMSMOAJHBX-ZOBUZTSGSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-6-3-4-8-16(13)17-11-20(14(2)12-22-17)18(21)15-7-5-9-19-10-15/h3-4,6,8,14-15,17,19H,5,7,9-12H2,1-2H3/t14-,15-,17-/m0/s1.
What are the key properties of [(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone?
[(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-methyl-2-(2-methylphenyl)morpholin-4-yl]-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 124778318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).