2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone

C23H29N3O3 — CID 155503401

IUPAC2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c1
InChIInChI=1S/C23H29N3O3/c1-18-4-2-5-19(14-18)15-22(27)26-10-13-29-21(17-25-8-11-28-12-9-25)23(26)20-6-3-7-24-16-20/h2-7,14,16,21,23H,8-13,15,17H2,1H3/t21-,23-/m0/s1
InChIKeyPFXIXPCVQZWSMT-GMAHTHKFSA-N
MW395.50 g/mol
LogP2.23
Rot. Bonds5

About 2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone

2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone (PubChem CID 155503401) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
PubChem CID155503401
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c1
InChIInChI=1S/C23H29N3O3/c1-18-4-2-5-19(14-18)15-22(27)26-10-13-29-21(17-25-8-11-28-12-9-25)23(26)20-6-3-7-24-16-20/h2-7,14,16,21,23H,8-13,15,17H2,1H3/t21-,23-/m0/s1
InChIKeyPFXIXPCVQZWSMT-GMAHTHKFSA-N
XLogP2.23
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone with MolForge

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Related Compounds

2-(3-fluorophenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone
CID 155505758
(E)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-phenylprop-2-en-1-one
CID 155503656
(3-chlorophenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155504237
N-[3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-3-oxopropyl]acetamide
CID 155492711
(4-hydroxy-2-methylphenyl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155491360
1H-indol-6-yl-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155504219
6-methyl-3-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholine-4-carbonyl]-1H-pyridin-2-one
CID 155510191
(5-ethyl-4-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]methanone
CID 155497123
[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-5-yl)methanone
CID 155501269
2-(3-fluorophenyl)-1-[(2S,3S)-2-[(4-hydroxypiperidin-1-yl)methyl]-3-phenylmorpholin-4-yl]ethanone
CID 155505230
1-[(2S,3S)-3-(1-methylpyrazol-4-yl)-2-(piperidin-1-ylmethyl)morpholin-4-yl]-2-phenylethanone
CID 155495620
(2S,3S)-N-methyl-2-(morpholin-4-ylmethyl)-N-propan-2-yl-3-pyridin-3-ylmorpholine-4-sulfonamide
CID 155494427

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone (CID 155503401) is 2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone is Cc1cccc(CC(=O)N2CCO[C@@H](CN3CCOCC3)[C@@H]2c2cccnc2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone?
The InChIKey is PFXIXPCVQZWSMT-GMAHTHKFSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-4-2-5-19(14-18)15-22(27)26-10-13-29-21(17-25-8-11-28-12-9-25)23(26)20-6-3-7-24-16-20/h2-7,14,16,21,23H,8-13,15,17H2,1H3/t21-,23-/m0/s1.
What are the key properties of 2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone?
2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone has a molecular weight of 395.50 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[(2S,3S)-2-(morpholin-4-ylmethyl)-3-pyridin-3-ylmorpholin-4-yl]ethanone is sourced from PubChem (CID 155503401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).