4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one

C14H27N3O — CID 116980638

IUPAC4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one
SMILESCC(C)CC1CN(CCC2CCNCC2)C(=O)N1
InChIInChI=1S/C14H27N3O/c1-11(2)9-13-10-17(14(18)16-13)8-5-12-3-6-15-7-4-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyVZUNUWNYTSJYLF-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.82
Rot. Bonds5

About 4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one

4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one (PubChem CID 116980638) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one
PubChem CID116980638
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one
SMILESCC(C)CC1CN(CCC2CCNCC2)C(=O)N1
InChIInChI=1S/C14H27N3O/c1-11(2)9-13-10-17(14(18)16-13)8-5-12-3-6-15-7-4-12/h11-13,15H,3-10H2,1-2H3,(H,16,18)
InChIKeyVZUNUWNYTSJYLF-UHFFFAOYSA-N
XLogP1.82
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one?
The IUPAC name of 4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one (CID 116980638) is 4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one?
The canonical SMILES for 4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one is CC(C)CC1CN(CCC2CCNCC2)C(=O)N1.
What is the InChIKey of 4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one?
The InChIKey is VZUNUWNYTSJYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)9-13-10-17(14(18)16-13)8-5-12-3-6-15-7-4-12/h11-13,15H,3-10H2,1-2H3,(H,16,18).
What are the key properties of 4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one?
4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one has a molecular weight of 253.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1-(2-piperidin-4-ylethyl)imidazolidin-2-one is sourced from PubChem (CID 116980638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).