methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate

C16H22N2O3 — CID 939366

IUPACmethyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-21-15(19)14(12-13-8-4-2-5-9-13)17-16(20)18-10-6-3-7-11-18/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyLGWRWRUYTLAFMT-AWEZNQCLSA-N
MW290.36 g/mol
LogP1.97
Rot. Bonds4

About methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate

methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate (PubChem CID 939366) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate
PubChem CID939366
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCCC1
InChIInChI=1S/C16H22N2O3/c1-21-15(19)14(12-13-8-4-2-5-9-13)17-16(20)18-10-6-3-7-11-18/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyLGWRWRUYTLAFMT-AWEZNQCLSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate?
The IUPAC name of methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate (CID 939366) is methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate?
The canonical SMILES for methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate is COC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCCCC1.
What is the InChIKey of methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate?
The InChIKey is LGWRWRUYTLAFMT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-21-15(19)14(12-13-8-4-2-5-9-13)17-16(20)18-10-6-3-7-11-18/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate?
methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate has a molecular weight of 290.36 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-phenyl-2-(piperidine-1-carbonylamino)propanoate is sourced from PubChem (CID 939366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).