5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione

C22H31N3O4S — CID 45185507

IUPAC5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)c3ccc(C)s3)CC2)NC(=O)N(CC2CCCO2)C1=O
InChIInChI=1S/C22H31N3O4S/c1-3-10-22(20(27)25(21(28)23-22)14-17-5-4-13-29-17)16-8-11-24(12-9-16)19(26)18-7-6-15(2)30-18/h6-7,16-17H,3-5,8-14H2,1-2H3,(H,23,28)
InChIKeyIGSQZIGDOCHDAM-UHFFFAOYSA-N
MW433.57 g/mol
LogP3.18
Rot. Bonds6

About 5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione

5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione (PubChem CID 45185507) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is 5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
PubChem CID45185507
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC Name5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
SMILESCCCC1(C2CCN(C(=O)c3ccc(C)s3)CC2)NC(=O)N(CC2CCCO2)C1=O
InChIInChI=1S/C22H31N3O4S/c1-3-10-22(20(27)25(21(28)23-22)14-17-5-4-13-29-17)16-8-11-24(12-9-16)19(26)18-7-6-15(2)30-18/h6-7,16-17H,3-5,8-14H2,1-2H3,(H,23,28)
InChIKeyIGSQZIGDOCHDAM-UHFFFAOYSA-N
XLogP3.18
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 53.18
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

(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-(4-piperidin-1-ylbenzoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 42365882
(5R)-5-[1-[2-(2-methylphenyl)acetyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42274825
(5R)-3-[[(2R)-oxolan-2-yl]methyl]-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 42274286
3-(oxolan-2-ylmethyl)-5-[1-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 45195401
(5S)-5-[1-(2,3-dimethoxybenzoyl)piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 26277668
(5S)-5-[1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42275318
N-[5-[[4-[(4S)-2,5-dioxo-1-[[(2S)-oxolan-2-yl]methyl]-4-propylimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 26278516
5-[1-[(3-chloro-4-hydroxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45183182
5-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione
CID 45182219
(5R)-5-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42381499
(5S)-5-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]-3-[[(2S)-oxolan-2-yl]methyl]-5-propylimidazolidine-2,4-dione
CID 42246851
5-[(4-fluorophenyl)methyl]-5-[1-[(E)-2-methylbut-2-enoyl]piperidin-4-yl]-3-(oxolan-2-ylmethyl)imidazolidine-2,4-dione
CID 118755482

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione (CID 45185507) is 5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione is CCCC1(C2CCN(C(=O)c3ccc(C)s3)CC2)NC(=O)N(CC2CCCO2)C1=O.
What is the InChIKey of 5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
The InChIKey is IGSQZIGDOCHDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-3-10-22(20(27)25(21(28)23-22)14-17-5-4-13-29-17)16-8-11-24(12-9-16)19(26)18-7-6-15(2)30-18/h6-7,16-17H,3-5,8-14H2,1-2H3,(H,23,28).
What are the key properties of 5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione?
5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione has a molecular weight of 433.57 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5-methylthiophene-2-carbonyl)piperidin-4-yl]-3-(oxolan-2-ylmethyl)-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 45185507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).