methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate

C27H35N3O3 — CID 67579090

IUPACmethyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate
SMILESCOC(=O)CCCC(C1CCN(Cc2ccccc2)CC1)C1CNC(=O)N1c1ccccc1
InChIInChI=1S/C27H35N3O3/c1-33-26(31)14-8-13-24(25-19-28-27(32)30(25)23-11-6-3-7-12-23)22-15-17-29(18-16-22)20-21-9-4-2-5-10-21/h2-7,9-12,22,24-25H,8,13-20H2,1H3,(H,28,32)
InChIKeyWXCKKVFYBQCLBB-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.46
Rot. Bonds9

About methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate

methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate (PubChem CID 67579090) has the molecular formula C27H35N3O3 and a molecular weight of 449.60 g/mol. Its IUPAC name is methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate.

Molecular Properties

Compound Namemethyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate
PubChem CID67579090
Molecular FormulaC27H35N3O3
Molecular Weight449.60 g/mol
Exact Mass449.27
IUPAC Namemethyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate
SMILESCOC(=O)CCCC(C1CCN(Cc2ccccc2)CC1)C1CNC(=O)N1c1ccccc1
InChIInChI=1S/C27H35N3O3/c1-33-26(31)14-8-13-24(25-19-28-27(32)30(25)23-11-6-3-7-12-23)22-15-17-29(18-16-22)20-21-9-4-2-5-10-21/h2-7,9-12,22,24-25H,8,13-20H2,1H3,(H,28,32)
InChIKeyWXCKKVFYBQCLBB-UHFFFAOYSA-N
XLogP4.46
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate with MolForge

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Related Compounds

methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
methyl (2S)-2-hydroxy-2-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetate
CID 97151791
methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate
CID 83826140
methyl 3-[6-[(1-benzylpiperidin-4-yl)methyl]piperazin-2-yl]propanoate
CID 174372463
methyl 4-[4-[[3-(1-benzylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
CID 19071285
dimethyl (2R)-2-[(3R)-1-benzylpyrrolidin-3-yl]-3-methylbutanedioate
CID 166986160
(1-benzylpiperidin-4-yl) 3-oxobutanoate
CID 13108113
methyl 6-[(3S,4R)-3-methoxy-4-(phenylmethoxycarbonylamino)piperidin-1-yl]-5-methylhexanoate
CID 157040623
methyl 2-[(1-benzylpiperidin-4-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 67597365
methyl 4-[(1-benzylpiperidin-4-yl)amino]cyclohexane-1-carboxylate
CID 119138505
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
2-(1-benzylpiperidin-4-yl)-2-fluoroacetic acid
CID 81357739

Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate?
The IUPAC name of methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate (CID 67579090) is methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate.
What is the SMILES notation for methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate?
The canonical SMILES for methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate is COC(=O)CCCC(C1CCN(Cc2ccccc2)CC1)C1CNC(=O)N1c1ccccc1.
What is the InChIKey of methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate?
The InChIKey is WXCKKVFYBQCLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O3/c1-33-26(31)14-8-13-24(25-19-28-27(32)30(25)23-11-6-3-7-12-23)22-15-17-29(18-16-22)20-21-9-4-2-5-10-21/h2-7,9-12,22,24-25H,8,13-20H2,1H3,(H,28,32).
What are the key properties of methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate?
methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate has a molecular weight of 449.60 g/mol, XLogP of 4.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-benzylpiperidin-4-yl)-5-(2-oxo-3-phenylimidazolidin-4-yl)pentanoate is sourced from PubChem (CID 67579090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).