1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea

C25H29ClN4O4 — CID 58674798

IUPAC1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea
SMILESCc1ccccc1C(NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C25H29ClN4O4/c1-17-4-2-3-5-21(17)23(28-25(33)27-19-8-6-18(26)7-9-19)24(32)29-12-10-20(11-13-29)30-14-15-34-16-22(30)31/h2-9,20,23H,10-16H2,1H3,(H2,27,28,33)
InChIKeyHEJJIWAEEUOADE-UHFFFAOYSA-N
MW484.98 g/mol
LogP3.36
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea

1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea (PubChem CID 58674798) has the molecular formula C25H29ClN4O4 and a molecular weight of 484.98 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea
PubChem CID58674798
Molecular FormulaC25H29ClN4O4
Molecular Weight484.98 g/mol
Exact Mass484.19
IUPAC Name1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea
SMILESCc1ccccc1C(NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCC(N2CCOCC2=O)CC1
InChIInChI=1S/C25H29ClN4O4/c1-17-4-2-3-5-21(17)23(28-25(33)27-19-8-6-18(26)7-9-19)24(32)29-12-10-20(11-13-29)30-14-15-34-16-22(30)31/h2-9,20,23H,10-16H2,1H3,(H2,27,28,33)
InChIKeyHEJJIWAEEUOADE-UHFFFAOYSA-N
XLogP3.36
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.98
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea
CID 11191012
1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(4-methyl-2-oxopiperazin-1-yl)piperidin-1-yl]-1-oxobutan-2-yl]urea
CID 58857998
1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 159427910
1-[2-[4-(azepan-4-yl)piperazin-1-yl]-1-(2-methoxyphenyl)-2-oxoethyl]-3-(4-chlorophenyl)urea
CID 58674776
1-(4-chlorophenyl)-3-[2-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-thiophen-2-ylethyl]urea
CID 68647446
1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]urea
CID 110348760
N-(4-methylphenyl)-3-[4-(3-oxomorpholin-4-yl)piperidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 143232706
1-(4-chlorophenyl)-3-[3-methyl-1-[4-(2-methyl-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxobutan-2-yl]urea
CID 68647005
4-[1-[1-(4-methylbenzoyl)piperidine-4-carbonyl]piperidin-4-yl]morpholin-3-one
CID 134797290
1-(4-chlorophenyl)-3-[(1R)-1-(4-hydroxyphenyl)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-oxoethyl]urea;bis(2,2,2-trifluoroacetic acid)
CID 11262613
1-(4-chlorophenyl)-3-[(2S)-3-methyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-methylsulfinyl-1-oxobutan-2-yl]urea
CID 58858026
(2R)-1-N-(4-chlorophenyl)-4-oxo-2-N-[4-(3-oxomorpholin-4-yl)cyclohexyl]pyrrolidine-1,2-dicarboxamide
CID 142946535

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea (CID 58674798) is 1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea is Cc1ccccc1C(NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCC(N2CCOCC2=O)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea?
The InChIKey is HEJJIWAEEUOADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O4/c1-17-4-2-3-5-21(17)23(28-25(33)27-19-8-6-18(26)7-9-19)24(32)29-12-10-20(11-13-29)30-14-15-34-16-22(30)31/h2-9,20,23H,10-16H2,1H3,(H2,27,28,33).
What are the key properties of 1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea?
1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea has a molecular weight of 484.98 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[1-(2-methylphenyl)-2-oxo-2-[4-(3-oxomorpholin-4-yl)piperidin-1-yl]ethyl]urea is sourced from PubChem (CID 58674798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).