[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

C20H27N3O5 — CID 7836758

IUPAC[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C20H27N3O5/c24-18(21-13-17-7-4-12-27-17)14-28-19(25)15-8-10-23(11-9-15)20(26)22-16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,21,24)(H,22,26)/t17-/m0/s1
InChIKeyPAQAWIZVEAJTJJ-KRWDZBQOSA-N
MW389.45 g/mol
LogP1.77
Rot. Bonds6

About [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (PubChem CID 7836758) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
PubChem CID7836758
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
SMILESO=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C20H27N3O5/c24-18(21-13-17-7-4-12-27-17)14-28-19(25)15-8-10-23(11-9-15)20(26)22-16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,21,24)(H,22,26)/t17-/m0/s1
InChIKeyPAQAWIZVEAJTJJ-KRWDZBQOSA-N
XLogP1.77
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836759
[2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836509
[2-(3,4-dimethylanilino)-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899072
[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-[4-(phenylcarbamoyl)piperazin-1-yl]ethyl] 1-(cyclopropanecarbonyl)piperidine-4-carboxylate
CID 27271014
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 7617283
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7899062
[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836796
cyclohexylmethyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836687
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2,2-diphenylacetate
CID 16523743
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836720

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate (CID 7836758) is [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is O=C(COC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)NC[C@@H]1CCCO1.
What is the InChIKey of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
The InChIKey is PAQAWIZVEAJTJJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H27N3O5/c24-18(21-13-17-7-4-12-27-17)14-28-19(25)15-8-10-23(11-9-15)20(26)22-16-5-2-1-3-6-16/h1-3,5-6,15,17H,4,7-14H2,(H,21,24)(H,22,26)/t17-/m0/s1.
What are the key properties of [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate?
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate has a molecular weight of 389.45 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7836758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).