5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione

C20H31N5O3 — CID 45171162

IUPAC5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccn(CCC(=O)N2CCC(C3(CCC(C)C)NC(=O)NC3=O)CC2)n1
InChIInChI=1S/C20H31N5O3/c1-14(2)4-9-20(18(27)21-19(28)22-20)16-6-10-24(11-7-16)17(26)8-13-25-12-5-15(3)23-25/h5,12,14,16H,4,6-11,13H2,1-3H3,(H2,21,22,27,28)
InChIKeyIYWKNJKGYFWYTE-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.83
Rot. Bonds7

About 5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione

5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45171162) has the molecular formula C20H31N5O3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45171162
Molecular FormulaC20H31N5O3
Molecular Weight389.50 g/mol
Exact Mass389.24
IUPAC Name5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCc1ccn(CCC(=O)N2CCC(C3(CCC(C)C)NC(=O)NC3=O)CC2)n1
InChIInChI=1S/C20H31N5O3/c1-14(2)4-9-20(18(27)21-19(28)22-20)16-6-10-24(11-7-16)17(26)8-13-25-12-5-15(3)23-25/h5,12,14,16H,4,6-11,13H2,1-3H3,(H2,21,22,27,28)
InChIKeyIYWKNJKGYFWYTE-UHFFFAOYSA-N
XLogP1.83
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.83
H-Bond Donors ≤ 52
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-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 45171162) is 5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione is Cc1ccn(CCC(=O)N2CCC(C3(CCC(C)C)NC(=O)NC3=O)CC2)n1.
What is the InChIKey of 5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is IYWKNJKGYFWYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O3/c1-14(2)4-9-20(18(27)21-19(28)22-20)16-6-10-24(11-7-16)17(26)8-13-25-12-5-15(3)23-25/h5,12,14,16H,4,6-11,13H2,1-3H3,(H2,21,22,27,28).
What are the key properties of 5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione?
5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 389.50 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-5-[1-[3-(3-methylpyrazol-1-yl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45171162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).