1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea

C27H32F2N4O5 — CID 46103383

IUPAC1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESO=C(Nc1ccccc1OC(F)F)N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C27H32F2N4O5/c28-26(29)38-23-9-5-4-8-21(23)30-27(36)31-22(18-19-6-2-1-3-7-19)25(35)32-12-10-20(11-13-32)24(34)33-14-16-37-17-15-33/h1-9,20,22,26H,10-18H2,(H2,30,31,36)/t22-/m1/s1
InChIKeyUHWFQVNPANHOQK-JOCHJYFZSA-N
MW530.57 g/mol
LogP3.12
Rot. Bonds8

About 1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea

1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea (PubChem CID 46103383) has the molecular formula C27H32F2N4O5 and a molecular weight of 530.57 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
PubChem CID46103383
Molecular FormulaC27H32F2N4O5
Molecular Weight530.57 g/mol
Exact Mass530.23
IUPAC Name1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea
SMILESO=C(Nc1ccccc1OC(F)F)N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C27H32F2N4O5/c28-26(29)38-23-9-5-4-8-21(23)30-27(36)31-22(18-19-6-2-1-3-7-19)25(35)32-12-10-20(11-13-32)24(34)33-14-16-37-17-15-33/h1-9,20,22,26H,10-18H2,(H2,30,31,36)/t22-/m1/s1
InChIKeyUHWFQVNPANHOQK-JOCHJYFZSA-N
XLogP3.12
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.57
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea (CID 46103383) is 1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea is O=C(Nc1ccccc1OC(F)F)N[C@H](Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
The InChIKey is UHWFQVNPANHOQK-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H32F2N4O5/c28-26(29)38-23-9-5-4-8-21(23)30-27(36)31-22(18-19-6-2-1-3-7-19)25(35)32-12-10-20(11-13-32)24(34)33-14-16-37-17-15-33/h1-9,20,22,26H,10-18H2,(H2,30,31,36)/t22-/m1/s1.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea?
1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea has a molecular weight of 530.57 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-3-[(2R)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 46103383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).