methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate

C16H21NO4 — CID 3927625

IUPACmethyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)Oc2ccccc2)CC1
InChIInChI=1S/C16H21NO4/c1-12(21-14-6-4-3-5-7-14)15(18)17-10-8-13(9-11-17)16(19)20-2/h3-7,12-13H,8-11H2,1-2H3
InChIKeyHGZLNAGXFWABPV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.87
Rot. Bonds4

About methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate

methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate (PubChem CID 3927625) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
PubChem CID3927625
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Namemethyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)C(C)Oc2ccccc2)CC1
InChIInChI=1S/C16H21NO4/c1-12(21-14-6-4-3-5-7-14)15(18)17-10-8-13(9-11-17)16(19)20-2/h3-7,12-13H,8-11H2,1-2H3
InChIKeyHGZLNAGXFWABPV-UHFFFAOYSA-N
XLogP1.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107
(2R)-1-(4-methylpiperidin-1-yl)-2-phenoxypropan-1-one
CID 670229
1-[4-(1-aminoethyl)piperidin-1-yl]-2-phenoxypropan-1-one
CID 119520564
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-phenoxypropan-1-one
CID 110885318
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
methyl 1-(2-chloro-2-phenylacetyl)piperidine-4-carboxylate
CID 43245512
methyl 1-[2-(2-chlorophenoxy)propanoyl]pyrrolidine-3-carboxylate
CID 112733832
1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499825
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
1-[4-(methylamino)piperidin-1-yl]-2-(4-phenylphenoxy)propan-1-one;hydrochloride
CID 119563868

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate (CID 3927625) is methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)C(C)Oc2ccccc2)CC1.
What is the InChIKey of methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate?
The InChIKey is HGZLNAGXFWABPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12(21-14-6-4-3-5-7-14)15(18)17-10-8-13(9-11-17)16(19)20-2/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate?
methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-phenoxypropanoyl)piperidine-4-carboxylate is sourced from PubChem (CID 3927625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).