1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea

C23H36N4O3 — CID 86886149

IUPAC1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
SMILESCC(C)CN1CCC(NC(=O)NCC(C(=O)N2CCOCC2)c2ccccc2)CC1
InChIInChI=1S/C23H36N4O3/c1-18(2)17-26-10-8-20(9-11-26)25-23(29)24-16-21(19-6-4-3-5-7-19)22(28)27-12-14-30-15-13-27/h3-7,18,20-21H,8-17H2,1-2H3,(H2,24,25,29)
InChIKeyLEEKZERRWRHBMH-UHFFFAOYSA-N
MW416.57 g/mol
LogP2.05
Rot. Bonds7

About 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea

1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea (PubChem CID 86886149) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
PubChem CID86886149
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
SMILESCC(C)CN1CCC(NC(=O)NCC(C(=O)N2CCOCC2)c2ccccc2)CC1
InChIInChI=1S/C23H36N4O3/c1-18(2)17-26-10-8-20(9-11-26)25-23(29)24-16-21(19-6-4-3-5-7-19)22(28)27-12-14-30-15-13-27/h3-7,18,20-21H,8-17H2,1-2H3,(H2,24,25,29)
InChIKeyLEEKZERRWRHBMH-UHFFFAOYSA-N
XLogP2.05
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111914194
1-(3-methyl-3-phenylbutan-2-yl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea
CID 86886974
3-[(2-methyloxolan-3-yl)amino]-1-morpholin-4-yl-2-phenylpropan-1-one
CID 75441504
1-ethyl-3-[1-[(2R)-2-phenylbutanoyl]piperidin-4-yl]urea
CID 95303034
1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 86886163
1-ethyl-2-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019344
2-methyl-1-(3-methylbutyl)-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)guanidine;hydroiodide
CID 110978954
4-ethoxy-N'-methyl-N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)piperidine-1-carboximidamide
CID 111958495
1-[1-(2-methylpropyl)piperidin-4-yl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55768822
1-methyl-N-[(2R)-3-morpholin-4-yl-3-oxo-2-phenylpropyl]cyclopentane-1-carboxamide
CID 95183567
1-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-3-(1-phenylcyclobutyl)urea
CID 86888650
N-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 86886437

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The IUPAC name of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea (CID 86886149) is 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea.
What is the SMILES notation for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The canonical SMILES for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea is CC(C)CN1CCC(NC(=O)NCC(C(=O)N2CCOCC2)c2ccccc2)CC1.
What is the InChIKey of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
The InChIKey is LEEKZERRWRHBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-18(2)17-26-10-8-20(9-11-26)25-23(29)24-16-21(19-6-4-3-5-7-19)22(28)27-12-14-30-15-13-27/h3-7,18,20-21H,8-17H2,1-2H3,(H2,24,25,29).
What are the key properties of 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea?
1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea has a molecular weight of 416.57 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)piperidin-4-yl]-3-(3-morpholin-4-yl-3-oxo-2-phenylpropyl)urea is sourced from PubChem (CID 86886149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).