5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione

C18H29N3O3 — CID 126463038

IUPAC5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
SMILESC=CCCC(=O)N1CCC(C2(CCC(C)C)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H29N3O3/c1-4-5-6-15(22)21-11-8-14(9-12-21)18(10-7-13(2)3)16(23)19-17(24)20-18/h4,13-14H,1,5-12H2,2-3H3,(H2,19,20,23,24)
InChIKeyJCVXDGCMXOKASV-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.21
Rot. Bonds7

About 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione

5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione (PubChem CID 126463038) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
PubChem CID126463038
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione
SMILESC=CCCC(=O)N1CCC(C2(CCC(C)C)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H29N3O3/c1-4-5-6-15(22)21-11-8-14(9-12-21)18(10-7-13(2)3)16(23)19-17(24)20-18/h4,13-14H,1,5-12H2,2-3H3,(H2,19,20,23,24)
InChIKeyJCVXDGCMXOKASV-UHFFFAOYSA-N
XLogP2.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
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-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45171162
(5R)-5-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42210327
(5S)-5-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42454799
5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 134368735
5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 164626807
(5R)-5-(3-methylbutyl)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42343993
N-[2-[4-[(4R)-4-ethyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 95209374
5-[1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 45183704
5-cyclopropyl-5-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437710
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepin-3-yl]propyl]imidazolidine-2,4-dione
CID 156823176
5-cyclopropyl-5-[3-[4-(1-methylpyrazol-3-yl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 145108870
(5S)-5-[3-(7-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 166705295

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione (CID 126463038) is 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione is C=CCCC(=O)N1CCC(C2(CCC(C)C)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
The InChIKey is JCVXDGCMXOKASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-4-5-6-15(22)21-11-8-14(9-12-21)18(10-7-13(2)3)16(23)19-17(24)20-18/h4,13-14H,1,5-12H2,2-3H3,(H2,19,20,23,24).
What are the key properties of 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione?
5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione has a molecular weight of 335.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-5-(1-pent-4-enoylpiperidin-4-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 126463038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).