2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one

C113H166N10O14S — CID 159248749

IUPAC2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one
SMILESCC(C(=O)c1ccc(OCCCN2CCC[C@@H]2C)cc1)N1CCCCC1=O.CC(C(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1)N1CCOCC1.CC(C(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1)N1C[C@@H](C)O[C@@H](C)C1.CC1CCCN1CCCOc1ccc(C(=O)C(C)N2CCSCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C26H34N2O3.C23H36N2O3.C22H32N2O3.C21H32N2O3.C21H32N2O2S/c1-21-7-5-14-28(21)15-6-17-30-24-12-10-22(11-13-24)25(29)19-27-16-18-31-26(20-27)23-8-3-2-4-9-23;1-17-7-5-12-24(17)13-6-14-27-22-10-8-21(9-11-22)23(26)20(4)25-15-18(2)28-19(3)16-25;1-17-7-5-13-23(17)14-6-16-27-20-11-9-19(10-12-20)22(26)18(2)24-15-4-3-8-21(24)25;1-17-5-3-10-22(17)11-4-14-26-20-8-6-19(7-9-20)21(24)18(2)23-12-15-25-16-13-23;1-17-5-3-10-22(17)11-4-14-25-20-8-6-19(7-9-20)21(24)18(2)23-12-15-26-16-13-23/h2-4,8-13,21,26H,5-7,14-20H2,1H3;8-11,17-20H,5-7,12-16H2,1-4H3;9-12,17-18H,3-8,13-16H2,1-2H3;2*6-9,17-18H,3-5,10-16H2,1-2H3/t21-,26-;17-,18-,19+,20?;2*17-,18?;/m1101./s1
InChIKeyKVABOPMDRYFFNE-MKGZKBPKSA-N
MW1920.69 g/mol
LogP17.74
Rot. Bonds41

About 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one

2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one (PubChem CID 159248749) has the molecular formula C113H166N10O14S and a molecular weight of 1920.69 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one
PubChem CID159248749
Molecular FormulaC113H166N10O14S
Molecular Weight1920.69 g/mol
Exact Mass1919.23
IUPAC Name2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one
SMILESCC(C(=O)c1ccc(OCCCN2CCC[C@@H]2C)cc1)N1CCCCC1=O.CC(C(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1)N1CCOCC1.CC(C(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1)N1C[C@@H](C)O[C@@H](C)C1.CC1CCCN1CCCOc1ccc(C(=O)C(C)N2CCSCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCO[C@@H](c3ccccc3)C2)cc1
InChIInChI=1S/C26H34N2O3.C23H36N2O3.C22H32N2O3.C21H32N2O3.C21H32N2O2S/c1-21-7-5-14-28(21)15-6-17-30-24-12-10-22(11-13-24)25(29)19-27-16-18-31-26(20-27)23-8-3-2-4-9-23;1-17-7-5-12-24(17)13-6-14-27-22-10-8-21(9-11-22)23(26)20(4)25-15-18(2)28-19(3)16-25;1-17-7-5-13-23(17)14-6-16-27-20-11-9-19(10-12-20)22(26)18(2)24-15-4-3-8-21(24)25;1-17-5-3-10-22(17)11-4-14-26-20-8-6-19(7-9-20)21(24)18(2)23-12-15-25-16-13-23;1-17-5-3-10-22(17)11-4-14-25-20-8-6-19(7-9-20)21(24)18(2)23-12-15-26-16-13-23/h2-4,8-13,21,26H,5-7,14-20H2,1H3;8-11,17-20H,5-7,12-16H2,1-4H3;9-12,17-18H,3-8,13-16H2,1-2H3;2*6-9,17-18H,3-5,10-16H2,1-2H3/t21-,26-;17-,18-,19+,20?;2*17-,18?;/m1101./s1
InChIKeyKVABOPMDRYFFNE-MKGZKBPKSA-N
XLogP17.74
TPSA208.66 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds41
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001920.69
LogP ≤ 517.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one with MolForge

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Related Compounds

1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]pyrrolidin-2-one;hydrochloride
CID 66847587
2-methylpropyl 4-[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate
CID 77446952
N,N-dimethyl-4-[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxamide
CID 75306580
N-[4-[3-[(2S)-2-methylpiperidin-1-yl]propoxy]phenyl]-4-phenyloxane-4-carboxamide
CID 100679341
N-cyclohexyloxy-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanimine
CID 123212880
(4-fluorophenyl) 4-[2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate
CID 77446957
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperidin-2-one
CID 124565502
4-(4-fluorophenyl)-N-[4-[3-[(2R)-2-methylpiperidin-1-yl]propoxy]phenyl]oxane-4-carboxamide
CID 100683737
(2S)-1-[(2R)-2-phenylmorpholin-4-yl]-2-thiomorpholin-4-ylpropan-1-one
CID 124588141
N-(2-hydroxy-2-phenylethyl)-4-[3-(2-methylpyrrolidin-1-yl)propoxy]benzamide
CID 91007127
ethyl 4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4-oxobutanoate
CID 59651969
ethyl 4-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-4-oxo-3-pyridin-2-ylbutanoate
CID 68712964

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one (CID 159248749) is 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one is CC(C(=O)c1ccc(OCCCN2CCC[C@@H]2C)cc1)N1CCCCC1=O.CC(C(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1)N1CCOCC1.CC(C(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1)N1C[C@@H](C)O[C@@H](C)C1.CC1CCCN1CCCOc1ccc(C(=O)C(C)N2CCSCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCO[C@@H](c3ccccc3)C2)cc1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one?
The InChIKey is KVABOPMDRYFFNE-MKGZKBPKSA-N. The full InChI is InChI=1S/C26H34N2O3.C23H36N2O3.C22H32N2O3.C21H32N2O3.C21H32N2O2S/c1-21-7-5-14-28(21)15-6-17-30-24-12-10-22(11-13-24)25(29)19-27-16-18-31-26(20-27)23-8-3-2-4-9-23;1-17-7-5-12-24(17)13-6-14-27-22-10-8-21(9-11-22)23(26)20(4)25-15-18(2)28-19(3)16-25;1-17-7-5-13-23(17)14-6-16-27-20-11-9-19(10-12-20)22(26)18(2)24-15-4-3-8-21(24)25;1-17-5-3-10-22(17)11-4-14-26-20-8-6-19(7-9-20)21(24)18(2)23-12-15-25-16-13-23;1-17-5-3-10-22(17)11-4-14-25-20-8-6-19(7-9-20)21(24)18(2)23-12-15-26-16-13-23/h2-4,8-13,21,26H,5-7,14-20H2,1H3;8-11,17-20H,5-7,12-16H2,1-4H3;9-12,17-18H,3-8,13-16H2,1-2H3;2*6-9,17-18H,3-5,10-16H2,1-2H3/t21-,26-;17-,18-,19+,20?;2*17-,18?;/m1101./s1.
What are the key properties of 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one?
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one has a molecular weight of 1920.69 g/mol, XLogP of 17.74, 41 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]propan-1-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylpropan-1-one;1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1-oxopropan-2-yl]piperidin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2S)-2-phenylmorpholin-4-yl]ethanone;1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-thiomorpholin-4-ylpropan-1-one is sourced from PubChem (CID 159248749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).