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

C23H26F3N5O3 — CID 148726413

IUPAC1-[(3R)-1-[6-(3-hydroxypiperidin-1-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(N3CCCC(O)C3)nc2)C1=O
InChIInChI=1S/C23H26F3N5O3/c24-23(25,26)15-5-7-16(8-6-15)28-22(34)29-19-4-2-12-31(21(19)33)17-9-10-20(27-13-17)30-11-1-3-18(32)14-30/h5-10,13,18-19,32H,1-4,11-12,14H2,(H2,28,29,34)/t18?,19-/m1/s1
InChIKeyOACBNAAQZFEMJL-MUMRKEEXSA-N
MW477.49 g/mol
LogP3.38
Rot. Bonds4

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

1-[(3R)-1-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 148726413) has the molecular formula C23H26F3N5O3 and a molecular weight of 477.49 g/mol. Its IUPAC name is 1-[(3R)-1-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[(3R)-1-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID148726413
Molecular FormulaC23H26F3N5O3
Molecular Weight477.49 g/mol
Exact Mass477.20
IUPAC Name1-[(3R)-1-[6-(3-hydroxypiperidin-1-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(N3CCCC(O)C3)nc2)C1=O
InChIInChI=1S/C23H26F3N5O3/c24-23(25,26)15-5-7-16(8-6-15)28-22(34)29-19-4-2-12-31(21(19)33)17-9-10-20(27-13-17)30-11-1-3-18(32)14-30/h5-10,13,18-19,32H,1-4,11-12,14H2,(H2,28,29,34)/t18?,19-/m1/s1
InChIKeyOACBNAAQZFEMJL-MUMRKEEXSA-N
XLogP3.38
TPSA97.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.49
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[(3R)-1-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 148726413) is 1-[(3R)-1-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[(3R)-1-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[(3R)-1-[6-(3-hydroxypiperidin-1-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(N3CCCC(O)C3)nc2)C1=O.
What is the InChIKey of 1-[(3R)-1-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is OACBNAAQZFEMJL-MUMRKEEXSA-N. The full InChI is InChI=1S/C23H26F3N5O3/c24-23(25,26)15-5-7-16(8-6-15)28-22(34)29-19-4-2-12-31(21(19)33)17-9-10-20(27-13-17)30-11-1-3-18(32)14-30/h5-10,13,18-19,32H,1-4,11-12,14H2,(H2,28,29,34)/t18?,19-/m1/s1.
What are the key properties of 1-[(3R)-1-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[(3R)-1-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 477.49 g/mol, XLogP of 3.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-2-oxopiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 148726413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).