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

C24H31N3O3S — CID 45178692

IUPAC5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)Oc1ccc(CN2CCC(C3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1
InChIInChI=1S/C24H31N3O3S/c1-17(2)30-21-6-4-18(5-7-21)14-26-11-8-20(9-12-26)24(3)22(28)27(23(29)25-24)15-19-10-13-31-16-19/h4-7,10,13,16-17,20H,8-9,11-12,14-15H2,1-3H3,(H,25,29)
InChIKeyLDQZGOACVTUOSC-UHFFFAOYSA-N
MW441.60 g/mol
LogP4.26
Rot. Bonds7

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

5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 45178692) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID45178692
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
SMILESCC(C)Oc1ccc(CN2CCC(C3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1
InChIInChI=1S/C24H31N3O3S/c1-17(2)30-21-6-4-18(5-7-21)14-26-11-8-20(9-12-26)24(3)22(28)27(23(29)25-24)15-19-10-13-31-16-19/h4-7,10,13,16-17,20H,8-9,11-12,14-15H2,1-3H3,(H,25,29)
InChIKeyLDQZGOACVTUOSC-UHFFFAOYSA-N
XLogP4.26
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 54.26
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)-5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 42373384
(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
5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45173762
(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-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 126463087
5-methyl-5-[1-(4-phenylbutanoyl)piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45183515
(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
N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 26346018
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26325942
(5S)-3-[(4-bromophenyl)methyl]-5-cyclohexyl-5-methylimidazolidine-2,4-dione
CID 7043083

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione (CID 45178692) is 5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is CC(C)Oc1ccc(CN2CCC(C3(C)NC(=O)N(Cc4ccsc4)C3=O)CC2)cc1.
What is the InChIKey of 5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is LDQZGOACVTUOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-17(2)30-21-6-4-18(5-7-21)14-26-11-8-20(9-12-26)24(3)22(28)27(23(29)25-24)15-19-10-13-31-16-19/h4-7,10,13,16-17,20H,8-9,11-12,14-15H2,1-3H3,(H,25,29).
What are the key properties of 5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione?
5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 441.60 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[1-[(4-propan-2-yloxyphenyl)methyl]piperidin-4-yl]-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45178692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).