(5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione

C24H32N4O2S — CID 42440096

IUPAC(5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@]1(C2CCN(Cc3ccncc3)CC2)NC(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C24H32N4O2S/c1-18(2)16-24(20-7-12-27(13-8-20)17-19-5-10-25-11-6-19)22(29)28(23(30)26-24)14-9-21-4-3-15-31-21/h3-6,10-11,15,18,20H,7-9,12-14,16-17H2,1-2H3,(H,26,30)/t24-/m1/s1
InChIKeyNJFRBBDMUNWZLV-XMMPIXPASA-N
MW440.61 g/mol
LogP3.93
Rot. Bonds8

About (5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione

(5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione (PubChem CID 42440096) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is (5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
PubChem CID42440096
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name(5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
SMILESCC(C)C[C@]1(C2CCN(Cc3ccncc3)CC2)NC(=O)N(CCc2cccs2)C1=O
InChIInChI=1S/C24H32N4O2S/c1-18(2)16-24(20-7-12-27(13-8-20)17-19-5-10-25-11-6-19)22(29)28(23(30)26-24)14-9-21-4-3-15-31-21/h3-6,10-11,15,18,20H,7-9,12-14,16-17H2,1-2H3,(H,26,30)/t24-/m1/s1
InChIKeyNJFRBBDMUNWZLV-XMMPIXPASA-N
XLogP3.93
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.93
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-[(3,5-dimethylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 45247531
(5S)-5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
CID 42436421
(5R)-5-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-5-pyridin-2-yl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42277499
(5S)-5-[1-[(2S)-1-acetylpyrrolidine-2-carbonyl]piperidin-4-yl]-5-(2-methylpropyl)-3-(thiophen-2-ylmethyl)imidazolidine-2,4-dione
CID 26277650
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-(4-tert-butylbenzoyl)piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 26278568
5-propyl-3-(2-pyridin-2-ylethyl)-5-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45239892
(5S)-5-[1-(4-methoxybenzoyl)piperidin-4-yl]-5-propyl-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 42373156
(5R)-5-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
CID 42238307
(5R)-5-methyl-5-(2-methylpropyl)-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
CID 95597576
(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 26275267
(5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42481511

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione (CID 42440096) is (5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione is CC(C)C[C@]1(C2CCN(Cc3ccncc3)CC2)NC(=O)N(CCc2cccs2)C1=O.
What is the InChIKey of (5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
The InChIKey is NJFRBBDMUNWZLV-XMMPIXPASA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-18(2)16-24(20-7-12-27(13-8-20)17-19-5-10-25-11-6-19)22(29)28(23(30)26-24)14-9-21-4-3-15-31-21/h3-6,10-11,15,18,20H,7-9,12-14,16-17H2,1-2H3,(H,26,30)/t24-/m1/s1.
What are the key properties of (5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione?
(5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione has a molecular weight of 440.61 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-methylpropyl)-5-[1-(pyridin-4-ylmethyl)piperidin-4-yl]-3-(2-thiophen-2-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42440096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).