methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride

C20H30ClN3O3 — CID 22075143

IUPACmethyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride
SMILESCOC(=O)CCCCC1(c2ccccc2)CNC(=O)N1C1CCNCC1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-26-18(24)9-5-6-12-20(16-7-3-2-4-8-16)15-22-19(25)23(20)17-10-13-21-14-11-17;/h2-4,7-8,17,21H,5-6,9-15H2,1H3,(H,22,25);1H
InChIKeyIBVUCVUOCTZWSI-UHFFFAOYSA-N
MW395.93 g/mol
LogP2.81
Rot. Bonds7

About methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride

methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride (PubChem CID 22075143) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride
PubChem CID22075143
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Namemethyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride
SMILESCOC(=O)CCCCC1(c2ccccc2)CNC(=O)N1C1CCNCC1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-26-18(24)9-5-6-12-20(16-7-3-2-4-8-16)15-22-19(25)23(20)17-10-13-21-14-11-17;/h2-4,7-8,17,21H,5-6,9-15H2,1H3,(H,22,25);1H
InChIKeyIBVUCVUOCTZWSI-UHFFFAOYSA-N
XLogP2.81
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride?
The IUPAC name of methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride (CID 22075143) is methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride.
What is the SMILES notation for methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride?
The canonical SMILES for methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride is COC(=O)CCCCC1(c2ccccc2)CNC(=O)N1C1CCNCC1.Cl.
What is the InChIKey of methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride?
The InChIKey is IBVUCVUOCTZWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-26-18(24)9-5-6-12-20(16-7-3-2-4-8-16)15-22-19(25)23(20)17-10-13-21-14-11-17;/h2-4,7-8,17,21H,5-6,9-15H2,1H3,(H,22,25);1H.
What are the key properties of methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride?
methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-oxo-4-phenyl-3-piperidin-4-ylimidazolidin-4-yl)pentanoate;hydrochloride is sourced from PubChem (CID 22075143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).