5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

C26H32N4O3S — CID 45250014

IUPAC5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)CSc3ccccc3)CC2)NC(=O)N(CCc2ccccn2)C1=O
InChIInChI=1S/C26H32N4O3S/c1-2-14-26(24(32)30(25(33)28-26)18-13-21-8-6-7-15-27-21)20-11-16-29(17-12-20)23(31)19-34-22-9-4-3-5-10-22/h3-10,15,20H,2,11-14,16-19H2,1H3,(H,28,33)
InChIKeyDOEFRFOUEPVCRJ-UHFFFAOYSA-N
MW480.63 g/mol
LogP3.75
Rot. Bonds9

About 5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione

5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 45250014) has the molecular formula C26H32N4O3S and a molecular weight of 480.63 g/mol. Its IUPAC name is 5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
PubChem CID45250014
Molecular FormulaC26H32N4O3S
Molecular Weight480.63 g/mol
Exact Mass480.22
IUPAC Name5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)CSc3ccccc3)CC2)NC(=O)N(CCc2ccccn2)C1=O
InChIInChI=1S/C26H32N4O3S/c1-2-14-26(24(32)30(25(33)28-26)18-13-21-8-6-7-15-27-21)20-11-16-29(17-12-20)23(31)19-34-22-9-4-3-5-10-22/h3-10,15,20H,2,11-14,16-19H2,1H3,(H,28,33)
InChIKeyDOEFRFOUEPVCRJ-UHFFFAOYSA-N
XLogP3.75
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 53.75
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

5-[1-(2-oxo-2-phenylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 118754184
5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45239892
5-[1-(cyclopentene-1-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45241344
5-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45168439
5-[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45247625
(5R)-5-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 25291890
5-[1-(3-fluoro-4-methoxybenzoyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 45206964
(5R)-3-[2-(dimethylamino)ethyl]-5-(3-methylbutyl)-5-[1-(2-pyridin-2-ylsulfanylacetyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42247873
(5S)-5-benzyl-5-[1-[(2S)-2-methylbutyl]piperidin-4-yl]-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione
CID 26280199
5-[1-(cyclopropanecarbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 45183104
5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 45169162
(5R)-5-[1-(3-cyclopentylpropanoyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
CID 42163475

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione (CID 45250014) is 5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is CCCC1(C2CCN(C(=O)CSc3ccccc3)CC2)NC(=O)N(CCc2ccccn2)C1=O.
What is the InChIKey of 5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
The InChIKey is DOEFRFOUEPVCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3S/c1-2-14-26(24(32)30(25(33)28-26)18-13-21-8-6-7-15-27-21)20-11-16-29(17-12-20)23(31)19-34-22-9-4-3-5-10-22/h3-10,15,20H,2,11-14,16-19H2,1H3,(H,28,33).
What are the key properties of 5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione?
5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 480.63 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]-5-propyl-3-(2-pyridin-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45250014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).