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

C17H22FNO3 — CID 110675452

IUPACethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C17H22FNO3/c1-2-22-17(21)14-8-10-19(11-9-14)16(20)7-6-13-4-3-5-15(18)12-13/h3-5,12,14H,2,6-11H2,1H3
InChIKeyUCXAZTGRQTVJOU-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.56
Rot. Bonds5

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

ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate (PubChem CID 110675452) has the molecular formula C17H22FNO3 and a molecular weight of 307.37 g/mol. Its IUPAC name is ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
PubChem CID110675452
Molecular FormulaC17H22FNO3
Molecular Weight307.37 g/mol
Exact Mass307.16
IUPAC Nameethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCc2cccc(F)c2)CC1
InChIInChI=1S/C17H22FNO3/c1-2-22-17(21)14-8-10-19(11-9-14)16(20)7-6-13-4-3-5-15(18)12-13/h3-5,12,14H,2,6-11H2,1H3
InChIKeyUCXAZTGRQTVJOU-UHFFFAOYSA-N
XLogP2.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
ethyl 1-[3-(4-iodophenyl)propanoyl]piperidine-4-carboxylate
CID 71514462
ethyl 1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 35763528
N-[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 110726946
1-(4-cyclopropylpiperazin-1-yl)-3-(3-fluorophenyl)propan-1-one
CID 86853553
trans-ethyl (1S,2S)-2-[3-(3-fluorophenyl)propanoyl]cyclopropane-1-carboxylate
CID 10635327
ethyl 1-[(Z)-2-cyano-3-[2-(3-fluorophenyl)ethylamino]prop-2-enoyl]piperidine-4-carboxylate
CID 108831296
ethyl [4-[[1-[3-(3-fluorophenyl)propanoyl]piperidin-4-yl]carbamoyl]phenyl] carbonate
CID 108930460
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
3-(3-fluorophenyl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propan-1-one
CID 110887276

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate (CID 110675452) is ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCc2cccc(F)c2)CC1.
What is the InChIKey of ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate?
The InChIKey is UCXAZTGRQTVJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-2-22-17(21)14-8-10-19(11-9-14)16(20)7-6-13-4-3-5-15(18)12-13/h3-5,12,14H,2,6-11H2,1H3.
What are the key properties of ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate has a molecular weight of 307.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 110675452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).