1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea

C24H30F3N5O3 — CID 142493466

IUPAC1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCNC(=O)Nc1ccc(C(F)(F)F)nc1.C[C@H]1COCCN1c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C16H22N2O2.C8H8F3N3O/c1-13-12-20-11-10-17(13)14-5-7-15(8-6-14)18-9-3-2-4-16(18)19;1-12-7(15)14-5-2-3-6(13-4-5)8(9,10)11/h5-8,13H,2-4,9-12H2,1H3;2-4H,1H3,(H2,12,14,15)/t13-;/m0./s1
InChIKeyACVNMTYPQLZUML-ZOWNYOTGSA-N
MW493.53 g/mol
LogP4.28
Rot. Bonds3

About 1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea

1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea (PubChem CID 142493466) has the molecular formula C24H30F3N5O3 and a molecular weight of 493.53 g/mol. Its IUPAC name is 1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea
PubChem CID142493466
Molecular FormulaC24H30F3N5O3
Molecular Weight493.53 g/mol
Exact Mass493.23
IUPAC Name1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea
SMILESCNC(=O)Nc1ccc(C(F)(F)F)nc1.C[C@H]1COCCN1c1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C16H22N2O2.C8H8F3N3O/c1-13-12-20-11-10-17(13)14-5-7-15(8-6-14)18-9-3-2-4-16(18)19;1-12-7(15)14-5-2-3-6(13-4-5)8(9,10)11/h5-8,13H,2-4,9-12H2,1H3;2-4H,1H3,(H2,12,14,15)/t13-;/m0./s1
InChIKeyACVNMTYPQLZUML-ZOWNYOTGSA-N
XLogP4.28
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637361
1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea
CID 154971330
2-[(4-fluorophenyl)methyl]-N-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-1,3-thiazole-5-carboxamide
CID 99809689
1-[(3S)-2-oxo-1-[4-[1-(pyrrolidin-1-ylmethyl)cyclobutyl]phenyl]piperidin-3-yl]-3-[6-(trifluoromethyl)-3-pyridinyl]urea;sulfane
CID 158450634
1-[(3R)-2-oxo-1-[4-[(3R)-3-propan-2-ylmorpholin-4-yl]phenyl]piperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154971351
N-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 115778116
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 128930624
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[6-(trifluoromethyl)-3-pyridinyl]morpholine-4-carboxamide
CID 136589589
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 65173490
N-[4-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7686385

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The IUPAC name of 1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea (CID 142493466) is 1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea.
What is the SMILES notation for 1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The canonical SMILES for 1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea is CNC(=O)Nc1ccc(C(F)(F)F)nc1.C[C@H]1COCCN1c1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
The InChIKey is ACVNMTYPQLZUML-ZOWNYOTGSA-N. The full InChI is InChI=1S/C16H22N2O2.C8H8F3N3O/c1-13-12-20-11-10-17(13)14-5-7-15(8-6-14)18-9-3-2-4-16(18)19;1-12-7(15)14-5-2-3-6(13-4-5)8(9,10)11/h5-8,13H,2-4,9-12H2,1H3;2-4H,1H3,(H2,12,14,15)/t13-;/m0./s1.
What are the key properties of 1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea?
1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea has a molecular weight of 493.53 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3S)-3-methylmorpholin-4-yl]phenyl]piperidin-2-one;1-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]urea is sourced from PubChem (CID 142493466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).