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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Related Compounds

methyl 3-[(4S,5S)-4,5-dimethyl-2-oxo-5-phenyl-1-(2-piperidin-4-ylethyl)imidazolidin-4-yl]propanoate;hydrochloride
CID 67579043
methyl 3-[(4S,5S)-4,5-dimethyl-2-oxo-5-phenyl-1-(2-piperidin-4-ylethyl)imidazolidin-4-yl]propanoate
CID 67579044
methyl 4-[3,4-dihydroxy-2-(4-methoxy-4-oxobutyl)-1,2-diphenylcyclobutyl]butanoate
CID 134094247
methyl 3-(3-phenylpiperidin-3-yl)propanoate
CID 12701342
propan-2-yl 3-[2-oxo-4-phenyl-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)imidazolidin-4-yl]propanoate
CID 22077891
CID 101028218
CID 101028218
methyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)butanoate
CID 122138914
methyl 7-[(5-methyl-1-piperidin-4-yltriazole-4-carbonyl)amino]heptanoate;hydrochloride
CID 119701295
12-O-tert-butyl 1-O-(4-phenylpiperidin-4-yl) dodecanedioate
CID 167315434
methyl 6-oxo-6-[2-(1-phenylcyclopropanecarbonyl)pyrazolidin-1-yl]hexanoate
CID 3722831
methyl 4-[bromo(triphenyl)-lambda5-phosphanyl]butanoate
CID 14603913
methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
CID 164674956

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).