(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

C24H32N4O5 — CID 52501154

IUPAC(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H](C(=O)N4CCCCC4)C3)C2=O)cc1
InChIInChI=1S/C24H32N4O5/c1-24(18-8-10-19(33-2)11-9-18)22(31)28(23(32)25-24)16-20(29)27-14-6-7-17(15-27)21(30)26-12-4-3-5-13-26/h8-11,17H,3-7,12-16H2,1-2H3,(H,25,32)/t17-,24+/m1/s1
InChIKeyMMCBAVZFRSMOLO-OSPHWJPCSA-N
MW456.54 g/mol
LogP1.71
Rot. Bonds5

About (5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione

(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 52501154) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is (5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID52501154
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC Name(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H](C(=O)N4CCCCC4)C3)C2=O)cc1
InChIInChI=1S/C24H32N4O5/c1-24(18-8-10-19(33-2)11-9-18)22(31)28(23(32)25-24)16-20(29)27-14-6-7-17(15-27)21(30)26-12-4-3-5-13-26/h8-11,17H,3-7,12-16H2,1-2H3,(H,25,32)/t17-,24+/m1/s1
InChIKeyMMCBAVZFRSMOLO-OSPHWJPCSA-N
XLogP1.71
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]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)-3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 41183639
1-[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carbonitrile
CID 49063610
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7264931
(5S)-5-methyl-5-(4-methylphenyl)-3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7178929
5-(4-fluorophenyl)-3-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 42937258
(5R)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-[4-(difluoromethoxy)phenyl]-5-methylimidazolidine-2,4-dione
CID 2703261
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione
CID 119381700
3-[2-(azocan-1-yl)-2-oxoethyl]-5-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione
CID 51215204
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 7802337
(5R)-5-[4-(difluoromethoxy)phenyl]-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 2703300
5-methyl-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
CID 17440464
3-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-5-methylimidazolidine-2,4-dione;hydrochloride
CID 119381699

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione (CID 52501154) is (5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC[C@@H](C(=O)N4CCCCC4)C3)C2=O)cc1.
What is the InChIKey of (5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is MMCBAVZFRSMOLO-OSPHWJPCSA-N. The full InChI is InChI=1S/C24H32N4O5/c1-24(18-8-10-19(33-2)11-9-18)22(31)28(23(32)25-24)16-20(29)27-14-6-7-17(15-27)21(30)26-12-4-3-5-13-26/h8-11,17H,3-7,12-16H2,1-2H3,(H,25,32)/t17-,24+/m1/s1.
What are the key properties of (5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione?
(5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 456.54 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-methoxyphenyl)-5-methyl-3-[2-oxo-2-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 52501154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).