[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

C24H29N3O4 — CID 7836509

IUPAC[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESC[C@H](CNC(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H29N3O4/c1-18(19-8-4-2-5-9-19)16-25-22(28)17-31-23(29)20-12-14-27(15-13-20)24(30)26-21-10-6-3-7-11-21/h2-11,18,20H,12-17H2,1H3,(H,25,28)(H,26,30)/t18-/m1/s1
InChIKeyPZZKHZITHCIUTQ-GOSISDBHSA-N
MW423.51 g/mol
LogP3.39
Rot. Bonds7

About [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7836509) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7836509
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESC[C@H](CNC(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H29N3O4/c1-18(19-8-4-2-5-9-19)16-25-22(28)17-31-23(29)20-12-14-27(15-13-20)24(30)26-21-10-6-3-7-11-21/h2-11,18,20H,12-17H2,1H3,(H,25,28)(H,26,30)/t18-/m1/s1
InChIKeyPZZKHZITHCIUTQ-GOSISDBHSA-N
XLogP3.39
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-O-tert-butyl 4-O-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl] piperidine-1,4-dicarboxylate
CID 8924669
[2-[4-[(2R)-butan-2-yl]phenyl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836463
[2-(4-ethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836753
(3,3-dimethyl-2-oxobutyl) 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836704
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836759
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836758
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899072
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836720
[2-(diethylamino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836533
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836718
[2-oxo-2-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
[2-[(2-methoxybenzoyl)amino]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 29353501

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7836509) is [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is C[C@H](CNC(=O)COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is PZZKHZITHCIUTQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-18(19-8-4-2-5-9-19)16-25-22(28)17-31-23(29)20-12-14-27(15-13-20)24(30)26-21-10-6-3-7-11-21/h2-11,18,20H,12-17H2,1H3,(H,25,28)(H,26,30)/t18-/m1/s1.
What are the key properties of [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 423.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7836509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).