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

C28H35FN4O2 — CID 91026799

IUPACN-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC[C@]1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)C1=O
InChIInChI=1S/C28H35FN4O2/c1-4-28(24-9-11-25(29)12-10-24)27(35)33(20(2)31-28)16-6-15-32-17-13-22(14-18-32)23-7-5-8-26(19-23)30-21(3)34/h5,7-12,19,22H,4,6,13-18H2,1-3H3,(H,30,34)/t28-/m1/s1
InChIKeyNDJSBJWLWHFGPE-MUUNZHRXSA-N
MW478.61 g/mol
LogP4.92
Rot. Bonds8

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

N-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 91026799) has the molecular formula C28H35FN4O2 and a molecular weight of 478.61 g/mol. Its IUPAC name is N-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
PubChem CID91026799
Molecular FormulaC28H35FN4O2
Molecular Weight478.61 g/mol
Exact Mass478.27
IUPAC NameN-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
SMILESCC[C@]1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)C1=O
InChIInChI=1S/C28H35FN4O2/c1-4-28(24-9-11-25(29)12-10-24)27(35)33(20(2)31-28)16-6-15-32-17-13-22(14-18-32)23-7-5-8-26(19-23)30-21(3)34/h5,7-12,19,22H,4,6,13-18H2,1-3H3,(H,30,34)/t28-/m1/s1
InChIKeyNDJSBJWLWHFGPE-MUUNZHRXSA-N
XLogP4.92
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.92
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-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide (CID 91026799) is N-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is CC[C@]1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3cccc(NC(C)=O)c3)CC2)C1=O.
What is the InChIKey of N-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is NDJSBJWLWHFGPE-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H35FN4O2/c1-4-28(24-9-11-25(29)12-10-24)27(35)33(20(2)31-28)16-6-15-32-17-13-22(14-18-32)23-7-5-8-26(19-23)30-21(3)34/h5,7-12,19,22H,4,6,13-18H2,1-3H3,(H,30,34)/t28-/m1/s1.
What are the key properties of N-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 478.61 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[3-[(4R)-4-ethyl-4-(4-fluorophenyl)-2-methyl-5-oxoimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 91026799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).