4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide

C23H26ClFN4O2 — CID 54583896

IUPAC4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide
SMILESO=C(NC1CC1)c1ccc(OCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cc1F
InChIInChI=1S/C23H26ClFN4O2/c24-16-11-26-23(27-12-16)29-7-5-14(6-8-29)20-9-15(20)13-31-18-3-4-19(21(25)10-18)22(30)28-17-1-2-17/h3-4,10-12,14-15,17,20H,1-2,5-9,13H2,(H,28,30)
InChIKeyRWBWCXVARSSZKV-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.09
Rot. Bonds7

About 4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide

4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide (PubChem CID 54583896) has the molecular formula C23H26ClFN4O2 and a molecular weight of 444.94 g/mol. Its IUPAC name is 4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide.

Molecular Properties

Compound Name4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide
PubChem CID54583896
Molecular FormulaC23H26ClFN4O2
Molecular Weight444.94 g/mol
Exact Mass444.17
IUPAC Name4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide
SMILESO=C(NC1CC1)c1ccc(OCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cc1F
InChIInChI=1S/C23H26ClFN4O2/c24-16-11-26-23(27-12-16)29-7-5-14(6-8-29)20-9-15(20)13-31-18-3-4-19(21(25)10-18)22(30)28-17-1-2-17/h3-4,10-12,14-15,17,20H,1-2,5-9,13H2,(H,28,30)
InChIKeyRWBWCXVARSSZKV-UHFFFAOYSA-N
XLogP4.09
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide?
The IUPAC name of 4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide (CID 54583896) is 4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide.
What is the SMILES notation for 4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide?
The canonical SMILES for 4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide is O=C(NC1CC1)c1ccc(OCC2CC2C2CCN(c3ncc(Cl)cn3)CC2)cc1F.
What is the InChIKey of 4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide?
The InChIKey is RWBWCXVARSSZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN4O2/c24-16-11-26-23(27-12-16)29-7-5-14(6-8-29)20-9-15(20)13-31-18-3-4-19(21(25)10-18)22(30)28-17-1-2-17/h3-4,10-12,14-15,17,20H,1-2,5-9,13H2,(H,28,30).
What are the key properties of 4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide?
4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide has a molecular weight of 444.94 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]methoxy]-N-cyclopropyl-2-fluorobenzamide is sourced from PubChem (CID 54583896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).