methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate

C19H26N2O5 — CID 70054611

IUPACmethyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)OC(C)C(N)=O)CC1
InChIInChI=1S/C19H26N2O5/c1-13(17(20)22)26-16(12-14-6-4-3-5-7-14)18(23)21-10-8-15(9-11-21)19(24)25-2/h3-7,13,15-16H,8-12H2,1-2H3,(H2,20,22)/t13?,16-/m0/s1
InChIKeyMYVYQZZFCCSMOJ-VYIIXAMBSA-N
MW362.43 g/mol
LogP0.90
Rot. Bonds7

About methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate

methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate (PubChem CID 70054611) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate
PubChem CID70054611
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namemethyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)OC(C)C(N)=O)CC1
InChIInChI=1S/C19H26N2O5/c1-13(17(20)22)26-16(12-14-6-4-3-5-7-14)18(23)21-10-8-15(9-11-21)19(24)25-2/h3-7,13,15-16H,8-12H2,1-2H3,(H2,20,22)/t13?,16-/m0/s1
InChIKeyMYVYQZZFCCSMOJ-VYIIXAMBSA-N
XLogP0.90
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate with MolForge

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Related Compounds

methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
CID 3927625
methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 70056747
methyl 1-(2-chloro-2-phenylacetyl)piperidine-4-carboxylate
CID 43245512
N-benzyl-1-(2-methoxypropanoyl)piperidine-4-carboxamide
CID 87024119
2-[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]oxyhexanamide
CID 70053583
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
(2S)-2-[(2S)-1-[4-(methoxymethoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]oxyhexanoic acid
CID 10250828
methyl 1-[2-(4-ethylphenoxy)butanoyl]piperidine-4-carboxylate
CID 132651627
methyl 1-(2-amino-3-phenylpropanoyl)azetidine-3-carboxylate;hydrochloride
CID 70099178
ethyl 1-[2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 43888842

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate (CID 70054611) is methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)OC(C)C(N)=O)CC1.
What is the InChIKey of methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate?
The InChIKey is MYVYQZZFCCSMOJ-VYIIXAMBSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-13(17(20)22)26-16(12-14-6-4-3-5-7-14)18(23)21-10-8-15(9-11-21)19(24)25-2/h3-7,13,15-16H,8-12H2,1-2H3,(H2,20,22)/t13?,16-/m0/s1.
What are the key properties of methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate?
methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate has a molecular weight of 362.43 g/mol, XLogP of 0.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2S)-2-(1-amino-1-oxopropan-2-yl)oxy-3-phenylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 70054611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).