3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

C20H27N3O2 — CID 56720812

IUPAC3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(CCc2ccccc2)(C2CCNCC2)C(=O)N1CC1CC1
InChIInChI=1S/C20H27N3O2/c24-18-20(17-9-12-21-13-10-17,11-8-15-4-2-1-3-5-15)22-19(25)23(18)14-16-6-7-16/h1-5,16-17,21H,6-14H2,(H,22,25)
InChIKeyRTCALIMBBDHEDV-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.32
Rot. Bonds6

About 3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione

3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 56720812) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID56720812
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1NC(CCc2ccccc2)(C2CCNCC2)C(=O)N1CC1CC1
InChIInChI=1S/C20H27N3O2/c24-18-20(17-9-12-21-13-10-17,11-8-15-4-2-1-3-5-15)22-19(25)23(18)14-16-6-7-16/h1-5,16-17,21H,6-14H2,(H,22,25)
InChIKeyRTCALIMBBDHEDV-UHFFFAOYSA-N
XLogP2.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of 3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione (CID 56720812) is 3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is O=C1NC(CCc2ccccc2)(C2CCNCC2)C(=O)N1CC1CC1.
What is the InChIKey of 3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is RTCALIMBBDHEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c24-18-20(17-9-12-21-13-10-17,11-8-15-4-2-1-3-5-15)22-19(25)23(18)14-16-6-7-16/h1-5,16-17,21H,6-14H2,(H,22,25).
What are the key properties of 3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione?
3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 341.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 56720812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).