5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione

C16H27N5O3 — CID 120982053

IUPAC5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC1(C2CCN(CCC(=O)N3CCNCC3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H27N5O3/c1-16(14(23)18-15(24)19-16)12-2-7-20(8-3-12)9-4-13(22)21-10-5-17-6-11-21/h12,17H,2-11H2,1H3,(H2,18,19,23,24)
InChIKeyIMWKAYFNNPBWDI-UHFFFAOYSA-N
MW337.42 g/mol
LogP-0.88
Rot. Bonds4

About 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione

5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 120982053) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID120982053
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC1(C2CCN(CCC(=O)N3CCNCC3)CC2)NC(=O)NC1=O
InChIInChI=1S/C16H27N5O3/c1-16(14(23)18-15(24)19-16)12-2-7-20(8-3-12)9-4-13(22)21-10-5-17-6-11-21/h12,17H,2-11H2,1H3,(H2,18,19,23,24)
InChIKeyIMWKAYFNNPBWDI-UHFFFAOYSA-N
XLogP-0.88
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione (CID 120982053) is 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione is CC1(C2CCN(CCC(=O)N3CCNCC3)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is IMWKAYFNNPBWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-16(14(23)18-15(24)19-16)12-2-7-20(8-3-12)9-4-13(22)21-10-5-17-6-11-21/h12,17H,2-11H2,1H3,(H2,18,19,23,24).
What are the key properties of 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione?
5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 337.42 g/mol, XLogP of -0.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[1-(3-oxo-3-piperazin-1-ylpropyl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 120982053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).