5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

C24H29N3O3S — CID 45183515

IUPAC5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C2CCN(C(=O)CCCc3ccccc3)CC2)NC(=O)N(Cc2ccsc2)C1=O
InChIInChI=1S/C24H29N3O3S/c1-24(22(29)27(23(30)25-24)16-19-12-15-31-17-19)20-10-13-26(14-11-20)21(28)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,12,15,17,20H,5,8-11,13-14,16H2,1H3,(H,25,30)
InChIKeyBYYPJSMCDVMDGW-UHFFFAOYSA-N
MW439.58 g/mol
LogP3.82
Rot. Bonds7

About 5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione

5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 45183515) has the molecular formula C24H29N3O3S and a molecular weight of 439.58 g/mol. Its IUPAC name is 5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID45183515
Molecular FormulaC24H29N3O3S
Molecular Weight439.58 g/mol
Exact Mass439.19
IUPAC Name5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C2CCN(C(=O)CCCc3ccccc3)CC2)NC(=O)N(Cc2ccsc2)C1=O
InChIInChI=1S/C24H29N3O3S/c1-24(22(29)27(23(30)25-24)16-19-12-15-31-17-19)20-10-13-26(14-11-20)21(28)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,12,15,17,20H,5,8-11,13-14,16H2,1H3,(H,25,30)
InChIKeyBYYPJSMCDVMDGW-UHFFFAOYSA-N
XLogP3.82
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.58
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282962
(5S)-5-methyl-5-[1-[(4-methylphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 26282965
5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45182819
(5S)-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42372566
5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 45174615
(5R)-5-[1-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42317093
5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45173762
5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45178692
(5R)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42373384
5-methyl-5-[1-(1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbonyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45180190
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
5-methyl-5-[1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 126463087

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (CID 45183515) is 5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is CC1(C2CCN(C(=O)CCCc3ccccc3)CC2)NC(=O)N(Cc2ccsc2)C1=O.
What is the InChIKey of 5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is BYYPJSMCDVMDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3S/c1-24(22(29)27(23(30)25-24)16-19-12-15-31-17-19)20-10-13-26(14-11-20)21(28)9-5-8-18-6-3-2-4-7-18/h2-4,6-7,12,15,17,20H,5,8-11,13-14,16H2,1H3,(H,25,30).
What are the key properties of 5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 439.58 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45183515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).