1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea

C22H24F3N5O3 — CID 142493481

IUPAC1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(c2ccc(N3CCOCC3)nc2)C1=O
InChIInChI=1S/C22H24F3N5O3/c23-22(24,25)15-3-5-16(6-4-15)27-21(32)28-18-2-1-9-30(20(18)31)17-7-8-19(26-14-17)29-10-12-33-13-11-29/h3-8,14,18H,1-2,9-13H2,(H2,27,28,32)/t18-/m1/s1
InChIKeyOSLYKVGNJHFYQN-GOSISDBHSA-N
MW463.46 g/mol
LogP3.25
Rot. Bonds4

About 1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 142493481) has the molecular formula C22H24F3N5O3 and a molecular weight of 463.46 g/mol. Its IUPAC name is 1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID142493481
Molecular FormulaC22H24F3N5O3
Molecular Weight463.46 g/mol
Exact Mass463.18
IUPAC Name1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(c2ccc(N3CCOCC3)nc2)C1=O
InChIInChI=1S/C22H24F3N5O3/c23-22(24,25)15-3-5-16(6-4-15)27-21(32)28-18-2-1-9-30(20(18)31)17-7-8-19(26-14-17)29-10-12-33-13-11-29/h3-8,14,18H,1-2,9-13H2,(H2,27,28,32)/t18-/m1/s1
InChIKeyOSLYKVGNJHFYQN-GOSISDBHSA-N
XLogP3.25
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 142493481) is 1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(c2ccc(N3CCOCC3)nc2)C1=O.
What is the InChIKey of 1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is OSLYKVGNJHFYQN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24F3N5O3/c23-22(24,25)15-3-5-16(6-4-15)27-21(32)28-18-2-1-9-30(20(18)31)17-7-8-19(26-14-17)29-10-12-33-13-11-29/h3-8,14,18H,1-2,9-13H2,(H2,27,28,32)/t18-/m1/s1.
What are the key properties of 1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 463.46 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(6-morpholin-4-yl-3-pyridinyl)-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 142493481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).