methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate

C17H24N2O3 — CID 943337

IUPACmethyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13(16(20)22-2)18-17(21)19-10-8-15(9-11-19)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyWMEBWYOBBOVLLC-ZDUSSCGKSA-N
MW304.39 g/mol
LogP2.21
Rot. Bonds4

About methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate

methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate (PubChem CID 943337) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate
PubChem CID943337
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C17H24N2O3/c1-13(16(20)22-2)18-17(21)19-10-8-15(9-11-19)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21)/t13-/m0/s1
InChIKeyWMEBWYOBBOVLLC-ZDUSSCGKSA-N
XLogP2.21
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate?
The IUPAC name of methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate (CID 943337) is methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate?
The canonical SMILES for methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate is COC(=O)[C@H](C)NC(=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate?
The InChIKey is WMEBWYOBBOVLLC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(16(20)22-2)18-17(21)19-10-8-15(9-11-19)12-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,18,21)/t13-/m0/s1.
What are the key properties of methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate?
methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate has a molecular weight of 304.39 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(4-benzylpiperidine-1-carbonyl)amino]propanoate is sourced from PubChem (CID 943337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).