methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate

C17H24N2O3 — CID 119343555

IUPACmethyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate
SMILESCOC(=O)C(C)C(NC(=O)C1CCNCC1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-12(17(21)22-2)15(13-6-4-3-5-7-13)19-16(20)14-8-10-18-11-9-14/h3-7,12,14-15,18H,8-11H2,1-2H3,(H,19,20)
InChIKeyYJKZMEDQWAZWCT-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.65
Rot. Bonds5

About methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate

methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate (PubChem CID 119343555) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate
PubChem CID119343555
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namemethyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate
SMILESCOC(=O)C(C)C(NC(=O)C1CCNCC1)c1ccccc1
InChIInChI=1S/C17H24N2O3/c1-12(17(21)22-2)15(13-6-4-3-5-7-13)19-16(20)14-8-10-18-11-9-14/h3-7,12,14-15,18H,8-11H2,1-2H3,(H,19,20)
InChIKeyYJKZMEDQWAZWCT-UHFFFAOYSA-N
XLogP1.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-phenyl-3-(3-piperidin-4-ylbutanoylamino)propanoate
CID 119818562
N-(1-phenylethyl)piperidine-4-carboxamide
CID 2903820
N-benzhydrylpiperidine-4-carboxamide
CID 119263888
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide
CID 119315130
N-(2-methoxy-1-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119315129
methyl (2R,3R)-3-(methoxycarbonylamino)-2-methyl-3-phenylpropanoate
CID 14027268
methyl (2S,3R)-3-acetamido-2-methyl-3-phenylpropanoate
CID 101468384
methyl (2R,3R)-3-(cyclobutanecarbonylamino)-2-methoxy-3-phenylpropanoate
CID 58631028
methyl 2-methyl-3-phenyl-3-(3-piperidin-3-ylbutanoylamino)propanoate;hydrochloride
CID 119818551
N-(1-phenylpropyl)piperidine-4-carboxamide;hydrochloride
CID 119279862
methyl 2-methyl-3-phenyl-3-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
CID 119818568
propan-2-yl 3-phenyl-3-(piperidine-4-carbonylamino)propanoate
CID 119274330

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate?
The IUPAC name of methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate (CID 119343555) is methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate.
What is the SMILES notation for methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate?
The canonical SMILES for methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate is COC(=O)C(C)C(NC(=O)C1CCNCC1)c1ccccc1.
What is the InChIKey of methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate?
The InChIKey is YJKZMEDQWAZWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(17(21)22-2)15(13-6-4-3-5-7-13)19-16(20)14-8-10-18-11-9-14/h3-7,12,14-15,18H,8-11H2,1-2H3,(H,19,20).
What are the key properties of methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate?
methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate has a molecular weight of 304.39 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-phenyl-3-(piperidine-4-carbonylamino)propanoate is sourced from PubChem (CID 119343555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).