(5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one

C27H32FN3O3 — CID 142917279

IUPAC(5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC[C@]1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3ccc4c(c3)OCO4)CC2)C1=O
InChIInChI=1S/C27H32FN3O3/c1-3-27(22-6-8-23(28)9-7-22)26(32)31(19(2)29-27)14-4-13-30-15-11-20(12-16-30)21-5-10-24-25(17-21)34-18-33-24/h5-10,17,20H,3-4,11-16,18H2,1-2H3/t27-/m1/s1
InChIKeyAROWPPPSZMVKFZ-HHHXNRCGSA-N
MW465.57 g/mol
LogP4.69
Rot. Bonds7

About (5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one

(5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one (PubChem CID 142917279) has the molecular formula C27H32FN3O3 and a molecular weight of 465.57 g/mol. Its IUPAC name is (5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one
PubChem CID142917279
Molecular FormulaC27H32FN3O3
Molecular Weight465.57 g/mol
Exact Mass465.24
IUPAC Name(5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one
SMILESCC[C@]1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3ccc4c(c3)OCO4)CC2)C1=O
InChIInChI=1S/C27H32FN3O3/c1-3-27(22-6-8-23(28)9-7-22)26(32)31(19(2)29-27)14-4-13-30-15-11-20(12-16-30)21-5-10-24-25(17-21)34-18-33-24/h5-10,17,20H,3-4,11-16,18H2,1-2H3/t27-/m1/s1
InChIKeyAROWPPPSZMVKFZ-HHHXNRCGSA-N
XLogP4.69
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.57
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one with MolForge

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

Launch Full Analysis

Related Compounds

2-Butyl-3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]-1,3-diazaspiro[4.4]non-1-en-4-one
CID 44436448
2-Amino-3-[3-(1,3-benzodioxol-5-yl)propyl]-5-(4-fluorophenyl)-5-[(4-methoxyphenyl)methyl]imidazol-4-one;2,2,2-trifluoroacetic acid
CID 44530232
4-(1,3-Benzodioxol-5-ylmethyl)-1-cyclopentyl-3-(4-fluorophenyl)piperazine-2,5-dione
CID 3237205
2-(1,3-benzodioxol-5-yl)-N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methylacetamide
CID 23723906
1-[4-(2H-benzo[3,4-d]1,3-dioxolen-5-ylmethyl)piperazinyl]-2-(4-fluorophenyl)et han-1-one
CID 1164524
(4-(2-(Benzo[d][1,3]dioxol-5-yl)cyclopropanecarbonyl)piperazin-1-yl)(2-fluorophenyl)methanone
CID 49676663
Cambridge id 6871334
CID 4144709
1-[4-(1,3-Benzodioxol-5-yl)piperidin-1-yl]-2-(2-fluorophenyl)ethanone
CID 16668216
1-[4-(1,3-Benzodioxol-5-yl)piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 16668217
3-(1,3-benzodioxol-5-yl)-1-[(3S)-3-[benzyl(methyl)amino]piperidin-1-yl]propan-1-one
CID 42466073
[(1S,2S)-2-(2H-1,3-benzodioxol-5-yl)cyclopropyl][4-(o-fluorobenzoyl)-1-piperazinyl]methanone
CID 52177198
6-[3-(1,3-benzodioxol-5-yl)propanoyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 77093069

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one?
The IUPAC name of (5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one (CID 142917279) is (5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one.
What is the SMILES notation for (5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one?
The canonical SMILES for (5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one is CC[C@]1(c2ccc(F)cc2)N=C(C)N(CCCN2CCC(c3ccc4c(c3)OCO4)CC2)C1=O.
What is the InChIKey of (5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one?
The InChIKey is AROWPPPSZMVKFZ-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H32FN3O3/c1-3-27(22-6-8-23(28)9-7-22)26(32)31(19(2)29-27)14-4-13-30-15-11-20(12-16-30)21-5-10-24-25(17-21)34-18-33-24/h5-10,17,20H,3-4,11-16,18H2,1-2H3/t27-/m1/s1.
What are the key properties of (5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one?
(5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one has a molecular weight of 465.57 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-[4-(1,3-benzodioxol-5-yl)piperidin-1-yl]propyl]-5-ethyl-5-(4-fluorophenyl)-2-methylimidazol-4-one is sourced from PubChem (CID 142917279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).