5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride

C22H30ClN5O2 — CID 154885329

IUPAC5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(CCCc2ccccc2)(C2CCNCC2)C(=O)N1CCn1cccn1
InChIInChI=1S/C22H29N5O2.ClH/c28-20-22(19-9-13-23-14-10-19,11-4-8-18-6-2-1-3-7-18)25-21(29)27(20)17-16-26-15-5-12-24-26;/h1-3,5-7,12,15,19,23H,4,8-11,13-14,16-17H2,(H,25,29);1H
InChIKeyUNYWEKWBSPIKOM-UHFFFAOYSA-N
MW431.97 g/mol
LogP2.62
Rot. Bonds8

About 5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride

5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride (PubChem CID 154885329) has the molecular formula C22H30ClN5O2 and a molecular weight of 431.97 g/mol. Its IUPAC name is 5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride
PubChem CID154885329
Molecular FormulaC22H30ClN5O2
Molecular Weight431.97 g/mol
Exact Mass431.21
IUPAC Name5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride
SMILESCl.O=C1NC(CCCc2ccccc2)(C2CCNCC2)C(=O)N1CCn1cccn1
InChIInChI=1S/C22H29N5O2.ClH/c28-20-22(19-9-13-23-14-10-19,11-4-8-18-6-2-1-3-7-18)25-21(29)27(20)17-16-26-15-5-12-24-26;/h1-3,5-7,12,15,19,23H,4,8-11,13-14,16-17H2,(H,25,29);1H
InChIKeyUNYWEKWBSPIKOM-UHFFFAOYSA-N
XLogP2.62
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.97
LogP ≤ 52.62
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-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride (CID 154885329) is 5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride is Cl.O=C1NC(CCCc2ccccc2)(C2CCNCC2)C(=O)N1CCn1cccn1.
What is the InChIKey of 5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride?
The InChIKey is UNYWEKWBSPIKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2.ClH/c28-20-22(19-9-13-23-14-10-19,11-4-8-18-6-2-1-3-7-18)25-21(29)27(20)17-16-26-15-5-12-24-26;/h1-3,5-7,12,15,19,23H,4,8-11,13-14,16-17H2,(H,25,29);1H.
What are the key properties of 5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride?
5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride has a molecular weight of 431.97 g/mol, XLogP of 2.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropyl)-5-piperidin-4-yl-3-(2-pyrazol-1-ylethyl)imidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 154885329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).