ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate

C20H26FNO5 — CID 55380370

IUPACethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FNO5/c1-3-26-20(25)16-10-12-22(13-11-16)19(24)14(2)27-18(23)9-6-15-4-7-17(21)8-5-15/h4-5,7-8,14,16H,3,6,9-13H2,1-2H3
InChIKeyRQVXNDFWSYNTFF-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.49
Rot. Bonds7

About ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate

ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate (PubChem CID 55380370) has the molecular formula C20H26FNO5 and a molecular weight of 379.43 g/mol. Its IUPAC name is ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate
PubChem CID55380370
Molecular FormulaC20H26FNO5
Molecular Weight379.43 g/mol
Exact Mass379.18
IUPAC Nameethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)OC(=O)CCc2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FNO5/c1-3-26-20(25)16-10-12-22(13-11-16)19(24)14(2)27-18(23)9-6-15-4-7-17(21)8-5-15/h4-5,7-8,14,16H,3,6,9-13H2,1-2H3
InChIKeyRQVXNDFWSYNTFF-UHFFFAOYSA-N
XLogP2.49
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]piperidine-4-carboxylate
CID 78780462
ethyl 1-[2-[3-(thiophene-3-carbonylamino)propanoyloxy]propanoyl]piperidine-4-carboxylate
CID 55375253
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462
ethyl 1-[2-[2-(9-oxoacridin-10-yl)acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55504842
ethyl 1-[2-[2-[(4-methoxybenzoyl)amino]acetyl]oxypropanoyl]piperidine-4-carboxylate
CID 55316119
ethyl 1-[2-(2-fluoro-4-methoxybenzoyl)oxypropanoyl]piperidine-4-carboxylate
CID 55378993
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[(2S)-2-(4-methoxyphenoxy)propanoyl]piperidine-4-carboxylate
CID 925118
ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 110675452
ethyl 1-(2-amino-3-methylbutanoyl)piperidine-4-carboxylate
CID 43119956

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate (CID 55380370) is ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)OC(=O)CCc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate?
The InChIKey is RQVXNDFWSYNTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FNO5/c1-3-26-20(25)16-10-12-22(13-11-16)19(24)14(2)27-18(23)9-6-15-4-7-17(21)8-5-15/h4-5,7-8,14,16H,3,6,9-13H2,1-2H3.
What are the key properties of ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate?
ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate has a molecular weight of 379.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[3-(4-fluorophenyl)propanoyloxy]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 55380370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).