benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate

C30H40N4O4 — CID 67654239

IUPACbenzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate
SMILESCN1CC(N2CCN(CCC(=O)OCc3ccccc3)C(C3CCN(Cc4ccccc4)CC3)C2)OC1=O
InChIInChI=1S/C30H40N4O4/c1-31-22-28(38-30(31)36)34-19-18-33(17-14-29(35)37-23-25-10-6-3-7-11-25)27(21-34)26-12-15-32(16-13-26)20-24-8-4-2-5-9-24/h2-11,26-28H,12-23H2,1H3
InChIKeyZYVYFMQCRDVWBH-UHFFFAOYSA-N
MW520.67 g/mol
LogP3.43
Rot. Bonds9

About benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate

benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate (PubChem CID 67654239) has the molecular formula C30H40N4O4 and a molecular weight of 520.67 g/mol. Its IUPAC name is benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namebenzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate
PubChem CID67654239
Molecular FormulaC30H40N4O4
Molecular Weight520.67 g/mol
Exact Mass520.30
IUPAC Namebenzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate
SMILESCN1CC(N2CCN(CCC(=O)OCc3ccccc3)C(C3CCN(Cc4ccccc4)CC3)C2)OC1=O
InChIInChI=1S/C30H40N4O4/c1-31-22-28(38-30(31)36)34-19-18-33(17-14-29(35)37-23-25-10-6-3-7-11-25)27(21-34)26-12-15-32(16-13-26)20-24-8-4-2-5-9-24/h2-11,26-28H,12-23H2,1H3
InChIKeyZYVYFMQCRDVWBH-UHFFFAOYSA-N
XLogP3.43
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.67
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate with MolForge

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Related Compounds

methyl 3-[3-[3-(1-benzylpiperidin-4-yl)propyl]-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate
CID 67654304
benzyl 3-(azetidin-1-yl)propanoate
CID 156875495
benzyl (5S)-3-methyl-2-oxo-1,3-oxazolidine-5-carboxylate
CID 14443169
methyl 3-[4-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
CID 19071171
benzyl 3-(4-butylpiperazin-1-yl)propanoate
CID 20795375
methyl 3-[4-[[3-[3-(1-benzylpiperidin-4-yl)propyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]propanoate
CID 19071021
ethyl 1-(1-benzylpiperidin-4-yl)piperidine-2-carboxylate
CID 2846487
1-benzyl-4-cyclohexylpiperazine;oxalic acid
CID 126476719
methyl 3-[(5aS,8aS)-7-(2-phenylacetyl)-2,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-1-yl]propanoate
CID 95795704
benzyl (3S)-3-(3-methyl-2-oxo-1,3-diazinan-1-yl)piperidine-1-carboxylate
CID 138622025
benzyl 3-[(3aR,6R,7aS)-6-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazol-1-yl]propanoate
CID 15093917
1-benzyl-4-(3-methylpiperidin-1-yl)piperidine
CID 2846252

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate?
The IUPAC name of benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate (CID 67654239) is benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate.
What is the SMILES notation for benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate?
The canonical SMILES for benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate is CN1CC(N2CCN(CCC(=O)OCc3ccccc3)C(C3CCN(Cc4ccccc4)CC3)C2)OC1=O.
What is the InChIKey of benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate?
The InChIKey is ZYVYFMQCRDVWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O4/c1-31-22-28(38-30(31)36)34-19-18-33(17-14-29(35)37-23-25-10-6-3-7-11-25)27(21-34)26-12-15-32(16-13-26)20-24-8-4-2-5-9-24/h2-11,26-28H,12-23H2,1H3.
What are the key properties of benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate?
benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate has a molecular weight of 520.67 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[2-(1-benzylpiperidin-4-yl)-4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)piperazin-1-yl]propanoate is sourced from PubChem (CID 67654239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).