(5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione

C21H26FN3O3 — CID 42163382

IUPAC(5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)N[C@](CC)(C2CCN(C(=O)c3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C21H26FN3O3/c1-4-21(19(27)25(13-14(2)3)20(28)23-21)16-8-10-24(11-9-16)18(26)15-6-5-7-17(22)12-15/h5-7,12,16H,2,4,8-11,13H2,1,3H3,(H,23,28)/t21-/m1/s1
InChIKeySXRWQXKEENRNER-OAQYLSRUSA-N
MW387.46 g/mol
LogP2.95
Rot. Bonds5

About (5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione

(5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (PubChem CID 42163382) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is (5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
PubChem CID42163382
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name(5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)N[C@](CC)(C2CCN(C(=O)c3cccc(F)c3)CC2)C1=O
InChIInChI=1S/C21H26FN3O3/c1-4-21(19(27)25(13-14(2)3)20(28)23-21)16-8-10-24(11-9-16)18(26)15-6-5-7-17(22)12-15/h5-7,12,16H,2,4,8-11,13H2,1,3H3,(H,23,28)/t21-/m1/s1
InChIKeySXRWQXKEENRNER-OAQYLSRUSA-N
XLogP2.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45181754
(5R)-5-ethyl-3-(2-methylprop-2-enyl)-5-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42170655
5-ethyl-3-(2-methylprop-2-enyl)-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 126463818
(5S)-5-ethyl-3-(2-methylprop-2-enyl)-5-[1-(2-methylsulfanyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42441881
(5S)-5-ethyl-5-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 42168676
5-ethyl-5-[1-[[3-(4-fluorophenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 75099053
(5R)-5-ethyl-5-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 42168263
5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45194299
3-[1-(3-fluorobenzoyl)piperidin-4-yl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110084230
N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 49348900
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
3-(1,3-benzodioxol-5-ylmethyl)-5-ethyl-5-[1-(1H-indole-6-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 118754277

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (CID 42163382) is (5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is C=C(C)CN1C(=O)N[C@](CC)(C2CCN(C(=O)c3cccc(F)c3)CC2)C1=O.
What is the InChIKey of (5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The InChIKey is SXRWQXKEENRNER-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-4-21(19(27)25(13-14(2)3)20(28)23-21)16-8-10-24(11-9-16)18(26)15-6-5-7-17(22)12-15/h5-7,12,16H,2,4,8-11,13H2,1,3H3,(H,23,28)/t21-/m1/s1.
What are the key properties of (5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
(5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione has a molecular weight of 387.46 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42163382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).