(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C23H26N4O3 — CID 124976368

IUPAC(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1
InChIInChI=1S/C23H26N4O3/c1-15-12-18(16-6-3-2-4-7-16)13-20(24-15)17-8-5-11-27(14-17)21(28)10-9-19-22(29)26-23(30)25-19/h2-4,6-7,12-13,17,19H,5,8-11,14H2,1H3,(H2,25,26,29,30)/t17-,19-/m0/s1
InChIKeyLEZINUBYACJUHE-HKUYNNGSSA-N
MW406.49 g/mol
LogP2.75
Rot. Bonds5

About (5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 124976368) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID124976368
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1
InChIInChI=1S/C23H26N4O3/c1-15-12-18(16-6-3-2-4-7-16)13-20(24-15)17-8-5-11-27(14-17)21(28)10-9-19-22(29)26-23(30)25-19/h2-4,6-7,12-13,17,19H,5,8-11,14H2,1H3,(H2,25,26,29,30)/t17-,19-/m0/s1
InChIKeyLEZINUBYACJUHE-HKUYNNGSSA-N
XLogP2.75
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]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

3-(1H-benzimidazol-2-yl)-1-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]propan-1-one
CID 125017351
(3R)-1-methyl-3-[2-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-2-oxoethyl]-3H-indol-2-one
CID 124963538
(5S)-5-[3-[(3R)-3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 95779136
cyclopentyl-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]methanone
CID 124980635
(4R)-4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 125003710
4-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]-2H-phthalazin-1-one
CID 124991722
[3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110091917
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-[4-(4-fluorophenyl)-6-methyl-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 124951832
(5R)-5-[3-[4-(2,6-dimethyl-4-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97114558
5-[3-oxo-3-[4-(4-phenylphenyl)piperazin-1-yl]propyl]imidazolidine-2,4-dione
CID 164621686
4-[3-(6-methyl-4-phenyl-2-pyridinyl)piperidine-1-carbonyl]benzenesulfonamide
CID 110091936
(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
CID 170509553

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 124976368) is (5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)CC[C@@H]3NC(=O)NC3=O)C2)n1.
What is the InChIKey of (5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is LEZINUBYACJUHE-HKUYNNGSSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-12-18(16-6-3-2-4-7-16)13-20(24-15)17-8-5-11-27(14-17)21(28)10-9-19-22(29)26-23(30)25-19/h2-4,6-7,12-13,17,19H,5,8-11,14H2,1H3,(H2,25,26,29,30)/t17-,19-/m0/s1.
What are the key properties of (5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 406.49 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[(3S)-3-(6-methyl-4-phenyl-2-pyridinyl)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124976368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).