[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate

C25H30N2O4 — CID 8526904

IUPAC[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCC(=O)NC[C@H](C)c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C25H30N2O4/c1-19(21-9-5-3-6-10-21)17-26-23(29)18-31-24(30)25(22-11-7-4-8-12-22)13-15-27(16-14-25)20(2)28/h3-12,19H,13-18H2,1-2H3,(H,26,29)/t19-/m0/s1
InChIKeyRJUXIXSYHMQMJA-IBGZPJMESA-N
MW422.53 g/mol
LogP3.03
Rot. Bonds7

About [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate

[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate (PubChem CID 8526904) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
PubChem CID8526904
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC Name[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
SMILESCC(=O)N1CCC(C(=O)OCC(=O)NC[C@H](C)c2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C25H30N2O4/c1-19(21-9-5-3-6-10-21)17-26-23(29)18-31-24(30)25(22-11-7-4-8-12-22)13-15-27(16-14-25)20(2)28/h3-12,19H,13-18H2,1-2H3,(H,26,29)/t19-/m0/s1
InChIKeyRJUXIXSYHMQMJA-IBGZPJMESA-N
XLogP3.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate with MolForge

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526930
[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 9455496
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8527029
[2-(2,6-diethylanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990278
[2-(2,6-dichloroanilino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35990301
[2-(butylcarbamoylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8949977
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 35974572
1-acetyl-N-(2,2-diphenylethyl)-4-phenylpiperidine-4-carboxamide
CID 55368593
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 2113866
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455392
[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenylcyclopentane-1-carboxylate
CID 18075665
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 11929188

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate (CID 8526904) is [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate is CC(=O)N1CCC(C(=O)OCC(=O)NC[C@H](C)c2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is RJUXIXSYHMQMJA-IBGZPJMESA-N. The full InChI is InChI=1S/C25H30N2O4/c1-19(21-9-5-3-6-10-21)17-26-23(29)18-31-24(30)25(22-11-7-4-8-12-22)13-15-27(16-14-25)20(2)28/h3-12,19H,13-18H2,1-2H3,(H,26,29)/t19-/m0/s1.
What are the key properties of [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate?
[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 422.53 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 8526904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).