N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide

C29H37FN4O2 — CID 142917275

IUPACN-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2CCN(CCCN3C(=O)C(CC)(c4ccc(F)cc4)N=C3C)CC2)c1
InChIInChI=1S/C29H37FN4O2/c1-4-27(35)31-26-9-6-8-23(20-26)22-14-18-33(19-15-22)16-7-17-34-21(3)32-29(5-2,28(34)36)24-10-12-25(30)13-11-24/h6,8-13,20,22H,4-5,7,14-19H2,1-3H3,(H,31,35)
InChIKeyQEFXIYPMVJUWCL-UHFFFAOYSA-N
MW492.64 g/mol
LogP5.31
Rot. Bonds9

About N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide

N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide (PubChem CID 142917275) has the molecular formula C29H37FN4O2 and a molecular weight of 492.64 g/mol. Its IUPAC name is N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide
PubChem CID142917275
Molecular FormulaC29H37FN4O2
Molecular Weight492.64 g/mol
Exact Mass492.29
IUPAC NameN-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2CCN(CCCN3C(=O)C(CC)(c4ccc(F)cc4)N=C3C)CC2)c1
InChIInChI=1S/C29H37FN4O2/c1-4-27(35)31-26-9-6-8-23(20-26)22-14-18-33(19-15-22)16-7-17-34-21(3)32-29(5-2,28(34)36)24-10-12-25(30)13-11-24/h6,8-13,20,22H,4-5,7,14-19H2,1-3H3,(H,31,35)
InChIKeyQEFXIYPMVJUWCL-UHFFFAOYSA-N
XLogP5.31
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide?
The IUPAC name of N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide (CID 142917275) is N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide is CCC(=O)Nc1cccc(C2CCN(CCCN3C(=O)C(CC)(c4ccc(F)cc4)N=C3C)CC2)c1.
What is the InChIKey of N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide?
The InChIKey is QEFXIYPMVJUWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4O2/c1-4-27(35)31-26-9-6-8-23(20-26)22-14-18-33(19-15-22)16-7-17-34-21(3)32-29(5-2,28(34)36)24-10-12-25(30)13-11-24/h6,8-13,20,22H,4-5,7,14-19H2,1-3H3,(H,31,35).
What are the key properties of N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide?
N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide has a molecular weight of 492.64 g/mol, XLogP of 5.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 142917275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).