ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate

C22H27NO4 — CID 170859240

IUPACethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate
SMILESCCOC(=O)CC1(c2ccccc2)CCN(CCC(=O)c2ccco2)CC1
InChIInChI=1S/C22H27NO4/c1-2-26-21(25)17-22(18-7-4-3-5-8-18)11-14-23(15-12-22)13-10-19(24)20-9-6-16-27-20/h3-9,16H,2,10-15,17H2,1H3
InChIKeyLVOIWZROWGOEGZ-UHFFFAOYSA-N
MW369.46 g/mol
LogP3.84
Rot. Bonds8

About ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate

ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate (PubChem CID 170859240) has the molecular formula C22H27NO4 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate
PubChem CID170859240
Molecular FormulaC22H27NO4
Molecular Weight369.46 g/mol
Exact Mass369.19
IUPAC Nameethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate
SMILESCCOC(=O)CC1(c2ccccc2)CCN(CCC(=O)c2ccco2)CC1
InChIInChI=1S/C22H27NO4/c1-2-26-21(25)17-22(18-7-4-3-5-8-18)11-14-23(15-12-22)13-10-19(24)20-9-6-16-27-20/h3-9,16H,2,10-15,17H2,1H3
InChIKeyLVOIWZROWGOEGZ-UHFFFAOYSA-N
XLogP3.84
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(furan-2-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 170859218
ethyl 2-[1-(furan-2-yl)cyclopropyl]acetate
CID 102087507
ethyl 2-(1-benzyl-4-naphthalen-2-ylpiperidin-4-yl)acetate
CID 22613816
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240
sodium;ethyl 3-(furan-2-yl)-3-oxopropanoate;hydride
CID 175451832
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
3-[4-(2-benzhydryloxyethyl)piperidin-1-yl]-1-(furan-2-yl)propan-1-one
CID 170859253
ethyl 2-[1-benzyl-4-(benzylamino)piperidin-4-yl]acetate
CID 22360002
ethyl (2S,3S)-3-(furan-2-yl)-3-hydroxy-2-phenyloxolane-2-carboxylate
CID 122379690
ethyl (3S)-4-(furan-2-yl)-3-methyl-4-oxobutanoate
CID 134968543
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
ethyl 2-(1-pyridin-4-ylcyclobutyl)acetate
CID 68851875

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate (CID 170859240) is ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate is CCOC(=O)CC1(c2ccccc2)CCN(CCC(=O)c2ccco2)CC1.
What is the InChIKey of ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate?
The InChIKey is LVOIWZROWGOEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO4/c1-2-26-21(25)17-22(18-7-4-3-5-8-18)11-14-23(15-12-22)13-10-19(24)20-9-6-16-27-20/h3-9,16H,2,10-15,17H2,1H3.
What are the key properties of ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate?
ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate has a molecular weight of 369.46 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[3-(furan-2-yl)-3-oxopropyl]-4-phenylpiperidin-4-yl]acetate is sourced from PubChem (CID 170859240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).