5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione

C22H25N5O3 — CID 121437579

IUPAC5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCc1ccccc1N1CCN(C(=O)CCC2(c3cccnc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C22H25N5O3/c1-16-5-2-3-7-18(16)26-11-13-27(14-12-26)19(28)8-9-22(17-6-4-10-23-15-17)20(29)24-21(30)25-22/h2-7,10,15H,8-9,11-14H2,1H3,(H2,24,25,29,30)
InChIKeyHNRGELDQOMFGOX-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.55
Rot. Bonds5

About 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione

5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione (PubChem CID 121437579) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
PubChem CID121437579
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
SMILESCc1ccccc1N1CCN(C(=O)CCC2(c3cccnc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C22H25N5O3/c1-16-5-2-3-7-18(16)26-11-13-27(14-12-26)19(28)8-9-22(17-6-4-10-23-15-17)20(29)24-21(30)25-22/h2-7,10,15H,8-9,11-14H2,1H3,(H2,24,25,29,30)
InChIKeyHNRGELDQOMFGOX-UHFFFAOYSA-N
XLogP1.55
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.55
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

5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 121437598
(5S)-5-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-2-ylimidazolidine-2,4-dione
CID 163640973
5-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677215
5-[3-(azepan-1-yl)-3-oxopropyl]-5-phenylimidazolidine-2,4-dione
CID 110677250
5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437676
5-[3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121438005
5-(4-chlorophenyl)-5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437904
5-[3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-5-(4-methylsulfanylphenyl)imidazolidine-2,4-dione
CID 137468170
(5R)-5-(aminomethyl)-5-pyridin-3-ylimidazolidine-2,4-dione
CID 175783183
[4-(2-methylphenyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone
CID 70731187
2-chloro-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 4741212
3-[2-[3-[4-(3-methyl-4-pyridinyl)-1,4-diazepan-1-yl]-3-oxopropyl]-5-oxopyrrolidin-2-yl]propanoic acid
CID 91782530

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The IUPAC name of 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione (CID 121437579) is 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The canonical SMILES for 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione is Cc1ccccc1N1CCN(C(=O)CCC2(c3cccnc3)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
The InChIKey is HNRGELDQOMFGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-16-5-2-3-7-18(16)26-11-13-27(14-12-26)19(28)8-9-22(17-6-4-10-23-15-17)20(29)24-21(30)25-22/h2-7,10,15H,8-9,11-14H2,1H3,(H2,24,25,29,30).
What are the key properties of 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione?
5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione has a molecular weight of 407.47 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione is sourced from PubChem (CID 121437579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).