(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

C24H30FN5O2 — CID 42168263

IUPAC(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
SMILESC=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C24H30FN5O2/c1-4-24(22(31)30(14-16(2)3)23(32)27-24)19-9-11-29(12-10-19)15-18-13-26-28-21(18)17-5-7-20(25)8-6-17/h5-8,13,19H,2,4,9-12,14-15H2,1,3H3,(H,26,28)(H,27,32)/t24-/m1/s1
InChIKeyVPQDECJJRDFEAM-XMMPIXPASA-N
MW439.54 g/mol
LogP3.70
Rot. Bonds7

About (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

(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 (PubChem CID 42168263) has the molecular formula C24H30FN5O2 and a molecular weight of 439.54 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID42168263
Molecular FormulaC24H30FN5O2
Molecular Weight439.54 g/mol
Exact Mass439.24
IUPAC Name(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
SMILESC=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)C1=O
InChIInChI=1S/C24H30FN5O2/c1-4-24(22(31)30(14-16(2)3)23(32)27-24)19-9-11-29(12-10-19)15-18-13-26-28-21(18)17-5-7-20(25)8-6-17/h5-8,13,19H,2,4,9-12,14-15H2,1,3H3,(H,26,28)(H,27,32)/t24-/m1/s1
InChIKeyVPQDECJJRDFEAM-XMMPIXPASA-N
XLogP3.70
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45181155
5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45194299
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-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 26276756
(5S)-5-ethyl-5-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 42168676
(5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 42163382
(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
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45181754
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-ethylimidazolidine-2,4-dione
CID 42164166
ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41315370

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=C(C)CN1C(=O)N[C@](CC)(C2CCN(Cc3cn[nH]c3-c3ccc(F)cc3)CC2)C1=O.
What is the InChIKey of (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?
The InChIKey is VPQDECJJRDFEAM-XMMPIXPASA-N. The full InChI is InChI=1S/C24H30FN5O2/c1-4-24(22(31)30(14-16(2)3)23(32)27-24)19-9-11-29(12-10-19)15-18-13-26-28-21(18)17-5-7-20(25)8-6-17/h5-8,13,19H,2,4,9-12,14-15H2,1,3H3,(H,26,28)(H,27,32)/t24-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 439.54 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 42168263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).