(1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate

C20H23NO5 — CID 12929320

IUPAC(1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)CC1OC(=O)c1ccco1
InChIInChI=1S/C20H23NO5/c1-3-18(22)26-20(15-8-5-4-6-9-15)11-12-21(2)14-17(20)25-19(23)16-10-7-13-24-16/h4-10,13,17H,3,11-12,14H2,1-2H3
InChIKeyXXMNRLZJSZHKMY-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.99
Rot. Bonds5

About (1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate

(1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate (PubChem CID 12929320) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is (1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate
PubChem CID12929320
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name(1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate
SMILESCCC(=O)OC1(c2ccccc2)CCN(C)CC1OC(=O)c1ccco1
InChIInChI=1S/C20H23NO5/c1-3-18(22)26-20(15-8-5-4-6-9-15)11-12-21(2)14-17(20)25-19(23)16-10-7-13-24-16/h4-10,13,17H,3,11-12,14H2,1-2H3
InChIKeyXXMNRLZJSZHKMY-UHFFFAOYSA-N
XLogP2.99
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S)-1,2-dimethyl-3-phenylpyrrolidin-3-yl] propanoate
CID 76969825
[(3S,4S)-1,4-dimethyl-3-phenylpyrrolidin-3-yl] propanoate
CID 97299990
(1,3-dimethyl-4-phenylazepan-4-yl) propanoate;[(2S,4S,5R)-1,2,5-trimethyl-4-phenylpiperidin-4-yl] propanoate
CID 70147210
(4-ethyl-1-methyl-3-phenylpyrrolidin-3-yl) propanoate;hydrochloride
CID 117067300
2,3-dihydroxybutanedioic acid;(1,2-dimethyl-3-phenylpyrrolidin-3-yl) propanoate
CID 24845621
[(2S,3S)-2-methyl-3-phenyl-1-prop-2-ynylpyrrolidin-3-yl] propanoate
CID 99943263
(1,3,3-trimethyl-4-phenylpiperidin-4-yl) propanoate
CID 21120815
(1,2-dimethyl-4-phenylpiperidin-4-yl) propanoate
CID 4741130
[2-methyl-3-phenyl-1-(3-phenylprop-2-enyl)pyrrolidin-3-yl] propanoate
CID 3053117
[(2R,3S,5R)-5-tert-butyl-1,2-dimethyl-3-phenylpiperidin-3-yl] propanoate
CID 11894409
(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol
CID 71056439
1-azabicyclo[2.2.2]octan-3-yl furan-2-carboxylate
CID 3900634

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate?
The IUPAC name of (1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate (CID 12929320) is (1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate.
What is the SMILES notation for (1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate?
The canonical SMILES for (1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate is CCC(=O)OC1(c2ccccc2)CCN(C)CC1OC(=O)c1ccco1.
What is the InChIKey of (1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate?
The InChIKey is XXMNRLZJSZHKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-3-18(22)26-20(15-8-5-4-6-9-15)11-12-21(2)14-17(20)25-19(23)16-10-7-13-24-16/h4-10,13,17H,3,11-12,14H2,1-2H3.
What are the key properties of (1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate?
(1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenyl-4-propanoyloxypiperidin-3-yl) furan-2-carboxylate is sourced from PubChem (CID 12929320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).