5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

C20H27N5O3 — CID 121437922

IUPAC5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cncc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)C[C@@H]2C)c1
InChIInChI=1S/C20H27N5O3/c1-13-9-16(11-21-10-13)25-8-7-24(12-14(25)2)17(26)5-6-20(15-3-4-15)18(27)22-19(28)23-20/h9-11,14-15H,3-8,12H2,1-2H3,(H2,22,23,27,28)/t14-,20?/m0/s1
InChIKeyLTNYDBXIBOIFNY-PVCZSOGJSA-N
MW385.47 g/mol
LogP1.20
Rot. Bonds5

About 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione

5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 121437922) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID121437922
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cncc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)C[C@@H]2C)c1
InChIInChI=1S/C20H27N5O3/c1-13-9-16(11-21-10-13)25-8-7-24(12-14(25)2)17(26)5-6-20(15-3-4-15)18(27)22-19(28)23-20/h9-11,14-15H,3-8,12H2,1-2H3,(H2,22,23,27,28)/t14-,20?/m0/s1
InChIKeyLTNYDBXIBOIFNY-PVCZSOGJSA-N
XLogP1.20
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-methyl-N-[(1S)-1-[4-[[(1S,2S)-2-pyridin-3-ylcyclopropanecarbonyl]amino]phenyl]ethyl]pyrrolidine-2-carboxamide
CID 145964467
3,5-Dimethyl-3,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),10,12-triene-4,6-dione
CID 44457469
(1R,2S,5S)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-3-[(2S)-3,3-dimethyl-2-[[1-(pyridin-3-ylmethyl)cyclohexyl]carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 46885452
5-[3-[4-(3-Chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437804
2-Cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione
CID 162625310
(2S)-N-[(4-aminocyclohexyl)methyl]-1-[(2R,3S)-1-methyl-5-oxo-3-pyridin-3-ylpyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 10550428
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-[3-[(E)-2-pyridin-2-ylethenyl]phenyl]acetamide
CID 16293491
(1S,4S,5R)-3-[(2S)-2-[[(1R)-1-[(4,4-dimethyl-2,6-dioxo-1-piperidyl)methyl]-2,2-dimethyl-propyl]carbamoylamino]-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[1-[2-oxo-2-(2-pyridylmethylamino)acetyl]pentyl]-3-azabicyclo[3.1.0]hexane-4-carboxamide
CID 25231815
(2S)-N-[(1S)-1-[4-[[3-(5-amino-3-pyridinyl)azetidine-1-carbonyl]amino]phenyl]ethyl]-1-methylpyrrolidine-2-carboxamide
CID 155513803
(2S)-1-methyl-N-[(1S)-1-[4-[(3-pyridin-3-ylazetidine-1-carbonyl)amino]phenyl]ethyl]pyrrolidine-2-carboxamide
CID 155525049
2,4,9-Trimethyl-4,9-dihydro-2,4,7,9-tetraaza-fluorene-1,3-dione
CID 44457461
5-[3-[4-(3,4-Difluorophenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437622

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 121437922) is 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is Cc1cncc(N2CCN(C(=O)CCC3(C4CC4)NC(=O)NC3=O)C[C@@H]2C)c1.
What is the InChIKey of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is LTNYDBXIBOIFNY-PVCZSOGJSA-N. The full InChI is InChI=1S/C20H27N5O3/c1-13-9-16(11-21-10-13)25-8-7-24(12-14(25)2)17(26)5-6-20(15-3-4-15)18(27)22-19(28)23-20/h9-11,14-15H,3-8,12H2,1-2H3,(H2,22,23,27,28)/t14-,20?/m0/s1.
What are the key properties of 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione?
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 385.47 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-[(3S)-3-methyl-4-(5-methyl-3-pyridinyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 121437922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).