(5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione

C24H34N4O4S — CID 26277650

IUPAC(5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(=O)N1CCC[C@H]1C(=O)N1CCC([C@]2(CC(C)C)NC(=O)N(Cc3cccs3)C2=O)CC1
InChIInChI=1S/C24H34N4O4S/c1-16(2)14-24(22(31)28(23(32)25-24)15-19-6-5-13-33-19)18-8-11-26(12-9-18)21(30)20-7-4-10-27(20)17(3)29/h5-6,13,16,18,20H,4,7-12,14-15H2,1-3H3,(H,25,32)/t20-,24-/m0/s1
InChIKeyGFINJICGSRFOCG-RDPSFJRHSA-N
MW474.63 g/mol
LogP2.83
Rot. Bonds6

About (5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione

(5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 26277650) has the molecular formula C24H34N4O4S and a molecular weight of 474.63 g/mol. Its IUPAC name is (5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID26277650
Molecular FormulaC24H34N4O4S
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name(5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
SMILESCC(=O)N1CCC[C@H]1C(=O)N1CCC([C@]2(CC(C)C)NC(=O)N(Cc3cccs3)C2=O)CC1
InChIInChI=1S/C24H34N4O4S/c1-16(2)14-24(22(31)28(23(32)25-24)15-19-6-5-13-33-19)18-8-11-26(12-9-18)21(30)20-7-4-10-27(20)17(3)29/h5-6,13,16,18,20H,4,7-12,14-15H2,1-3H3,(H,25,32)/t20-,24-/m0/s1
InChIKeyGFINJICGSRFOCG-RDPSFJRHSA-N
XLogP2.83
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
CID 42436421
(5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42440096
(5R)-5-[1-[(2S)-1-methylpiperidine-2-carbonyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 98570664
tert-butyl 4-[1-(2-thiophen-2-ylacetyl)pyrrolidine-2-carbonyl]piperazine-1-carboxylate
CID 55885976
5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 45183104
1-[2-(4-amino-3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 120818385
(5R)-5-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 26278568
(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42373156
2-[1-(1-acetylpyrrolidine-2-carbonyl)piperidin-4-yl]acetic acid
CID 71207331
5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45239892
1-[(2R)-2-(4-propan-2-yl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 143899528
5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 45169162

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione (CID 26277650) is (5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione is CC(=O)N1CCC[C@H]1C(=O)N1CCC([C@]2(CC(C)C)NC(=O)N(Cc3cccs3)C2=O)CC1.
What is the InChIKey of (5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is GFINJICGSRFOCG-RDPSFJRHSA-N. The full InChI is InChI=1S/C24H34N4O4S/c1-16(2)14-24(22(31)28(23(32)25-24)15-19-6-5-13-33-19)18-8-11-26(12-9-18)21(30)20-7-4-10-27(20)17(3)29/h5-6,13,16,18,20H,4,7-12,14-15H2,1-3H3,(H,25,32)/t20-,24-/m0/s1.
What are the key properties of (5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 474.63 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 26277650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).