1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea

C24H30N4O4 — CID 154971330

IUPAC1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea
SMILESCOc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(N4CCOC[C@H]4C)cc3)C2=O)cc1
InChIInChI=1S/C24H30N4O4/c1-17-16-32-15-14-27(17)19-7-9-20(10-8-19)28-13-3-4-22(23(28)29)26-24(30)25-18-5-11-21(31-2)12-6-18/h5-12,17,22H,3-4,13-16H2,1-2H3,(H2,25,26,30)/t17-,22-/m1/s1
InChIKeyIFPDJAJYISQLRF-VGOFRKELSA-N
MW438.53 g/mol
LogP3.24
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea

1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea (PubChem CID 154971330) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea
PubChem CID154971330
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Name1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea
SMILESCOc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(N4CCOC[C@H]4C)cc3)C2=O)cc1
InChIInChI=1S/C24H30N4O4/c1-17-16-32-15-14-27(17)19-7-9-20(10-8-19)28-13-3-4-22(23(28)29)26-24(30)25-18-5-11-21(31-2)12-6-18/h5-12,17,22H,3-4,13-16H2,1-2H3,(H2,25,26,30)/t17-,22-/m1/s1
InChIKeyIFPDJAJYISQLRF-VGOFRKELSA-N
XLogP3.24
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea with MolForge

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Related Compounds

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-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637361
1-[1-[4-(4-fluorophenyl)phenyl]-2-oxopiperidin-3-yl]-3-(4-methylphenyl)urea
CID 163572506
1-(4-ethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838878
2-(4-chlorophenoxy)-N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637403
1-[(3R)-1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154971437
1-[(3R)-1-[4-(4-fluoro-2-methoxyphenyl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 129227181
1-[(3R)-1-[4-(3-hydroxypiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 154971350
1-(2-oxo-1-pyridin-3-ylpiperidin-3-yl)-3-phenylurea
CID 166208852
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838850
1-(2,5-dimethoxyphenyl)-3-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]urea
CID 71838900
1-(4-chlorophenyl)-3-[(3R)-1-[4-(3-hydroxy-3-methylpiperidin-1-yl)phenyl]-2-oxopiperidin-3-yl]urea
CID 152909543

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea (CID 154971330) is 1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea is COc1ccc(NC(=O)N[C@@H]2CCCN(c3ccc(N4CCOC[C@H]4C)cc3)C2=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea?
The InChIKey is IFPDJAJYISQLRF-VGOFRKELSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-17-16-32-15-14-27(17)19-7-9-20(10-8-19)28-13-3-4-22(23(28)29)26-24(30)25-18-5-11-21(31-2)12-6-18/h5-12,17,22H,3-4,13-16H2,1-2H3,(H2,25,26,30)/t17-,22-/m1/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea?
1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea has a molecular weight of 438.53 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(3R)-1-[4-[(3R)-3-methylmorpholin-4-yl]phenyl]-2-oxopiperidin-3-yl]urea is sourced from PubChem (CID 154971330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).