(5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

C23H28N4O2 — CID 95214249

IUPAC(5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@](CCCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C23H28N4O2/c28-21-23(20-10-15-25-16-11-20,12-4-7-18-5-2-1-3-6-18)26-22(29)27(21)17-19-8-13-24-14-9-19/h1-3,5-6,8-9,13-14,20,25H,4,7,10-12,15-17H2,(H,26,29)/t23-/m0/s1
InChIKeyRCEAZYIRWBQRRO-QHCPKHFHSA-N
MW392.50 g/mol
LogP2.89
Rot. Bonds7

About (5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione

(5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (PubChem CID 95214249) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
PubChem CID95214249
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1N[C@@](CCCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1ccncc1
InChIInChI=1S/C23H28N4O2/c28-21-23(20-10-15-25-16-11-20,12-4-7-18-5-2-1-3-6-18)26-22(29)27(21)17-19-8-13-24-14-9-19/h1-3,5-6,8-9,13-14,20,25H,4,7,10-12,15-17H2,(H,26,29)/t23-/m0/s1
InChIKeyRCEAZYIRWBQRRO-QHCPKHFHSA-N
XLogP2.89
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione (CID 95214249) is (5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is O=C1N[C@@](CCCc2ccccc2)(C2CCNCC2)C(=O)N1Cc1ccncc1.
What is the InChIKey of (5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is RCEAZYIRWBQRRO-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-21-23(20-10-15-25-16-11-20,12-4-7-18-5-2-1-3-6-18)26-22(29)27(21)17-19-8-13-24-14-9-19/h1-3,5-6,8-9,13-14,20,25H,4,7,10-12,15-17H2,(H,26,29)/t23-/m0/s1.
What are the key properties of (5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 392.50 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-phenylpropyl)-5-piperidin-4-yl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 95214249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).