ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate

C18H25N3O4 — CID 151204271

IUPACethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CC1CN(c2ccc(N)cc2)C(=O)O1
InChIInChI=1S/C18H25N3O4/c1-2-24-17(22)16-5-3-4-10-20(16)11-15-12-21(18(23)25-15)14-8-6-13(19)7-9-14/h6-9,15-16H,2-5,10-12,19H2,1H3
InChIKeyNIYHXKBRVMFOHS-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.01
Rot. Bonds5

About ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate

ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate (PubChem CID 151204271) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate
PubChem CID151204271
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Nameethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1CC1CN(c2ccc(N)cc2)C(=O)O1
InChIInChI=1S/C18H25N3O4/c1-2-24-17(22)16-5-3-4-10-20(16)11-15-12-21(18(23)25-15)14-8-6-13(19)7-9-14/h6-9,15-16H,2-5,10-12,19H2,1H3
InChIKeyNIYHXKBRVMFOHS-UHFFFAOYSA-N
XLogP2.01
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(4-aminophenyl)piperidine-2-carboxylate
CID 21070762
ethyl (3R)-1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]piperidine-3-carboxylate
CID 98765968
1-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 19439069
[1-[[3-[4-(aminomethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl] hydrogen carbonate
CID 70343630
ethyl 1-(4-aminobenzoyl)piperidine-2-carboxylate
CID 43648283
[1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl] tert-butyl carbonate
CID 22078367
ethyl 4-[[3-(4-cyanophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazine-2-carboxylate
CID 19439162
2-[[amino-[4-[5-[(4-ethoxycarbonylpiperidin-1-yl)methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]methylidene]amino]-1-methylpiperidine-4-carboxylic acid
CID 70051341
ethyl 1-[[2-oxo-3-[4-[N'-(thiophene-3-carbonyl)carbamimidoyl]phenyl]-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylate
CID 22435077
ethyl 1-[(4-chlorophenyl)methyl]piperidine-2-carboxylate
CID 2838557
ethyl 1-[[3-[4-[N'-(naphthalene-2-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylate
CID 22435196
ethyl 1-[[3-[4-[N'-(furan-2-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-4-carboxylate
CID 18423219

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate (CID 151204271) is ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1CC1CN(c2ccc(N)cc2)C(=O)O1.
What is the InChIKey of ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate?
The InChIKey is NIYHXKBRVMFOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-2-24-17(22)16-5-3-4-10-20(16)11-15-12-21(18(23)25-15)14-8-6-13(19)7-9-14/h6-9,15-16H,2-5,10-12,19H2,1H3.
What are the key properties of ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate?
ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[3-(4-aminophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidine-2-carboxylate is sourced from PubChem (CID 151204271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).