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

C20H29N3O3 — CID 45181754

IUPAC5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)NC(CC)(C2CCN(C(=O)C3=CCCC3)CC2)C1=O
InChIInChI=1S/C20H29N3O3/c1-4-20(18(25)23(13-14(2)3)19(26)21-20)16-9-11-22(12-10-16)17(24)15-7-5-6-8-15/h7,16H,2,4-6,8-13H2,1,3H3,(H,21,26)
InChIKeyWBBKJUFOLOTGSI-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.61
Rot. Bonds5

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

5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (PubChem CID 45181754) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
PubChem CID45181754
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
SMILESC=C(C)CN1C(=O)NC(CC)(C2CCN(C(=O)C3=CCCC3)CC2)C1=O
InChIInChI=1S/C20H29N3O3/c1-4-20(18(25)23(13-14(2)3)19(26)21-20)16-9-11-22(12-10-16)17(24)15-7-5-6-8-15/h7,16H,2,4-6,8-13H2,1,3H3,(H,21,26)
InChIKeyWBBKJUFOLOTGSI-UHFFFAOYSA-N
XLogP2.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.61
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

(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
(5R)-5-ethyl-5-[1-(3-fluorobenzoyl)piperidin-4-yl]-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 42163382
(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-ethyl-3-(2-methylprop-2-enyl)-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 126463818
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45241344
(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-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-3-[3-(dimethylamino)propyl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 26356509
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
5-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45194299
(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-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione
CID 45181155

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione (CID 45181754) is 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is C=C(C)CN1C(=O)NC(CC)(C2CCN(C(=O)C3=CCCC3)CC2)C1=O.
What is the InChIKey of 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
The InChIKey is WBBKJUFOLOTGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-20(18(25)23(13-14(2)3)19(26)21-20)16-9-11-22(12-10-16)17(24)15-7-5-6-8-15/h7,16H,2,4-6,8-13H2,1,3H3,(H,21,26).
What are the key properties of 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione?
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione has a molecular weight of 359.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-ethyl-3-(2-methylprop-2-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45181754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).