[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

C16H21NO4 — CID 6283919

IUPAC[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC1CC(C)CN(C(=O)COC(=O)/C=C/c2ccco2)C1
InChIInChI=1S/C16H21NO4/c1-12-8-13(2)10-17(9-12)15(18)11-21-16(19)6-5-14-4-3-7-20-14/h3-7,12-13H,8-11H2,1-2H3/b6-5+
InChIKeyOGPBVNUDWRMQHZ-AATRIKPKSA-N
MW291.35 g/mol
LogP2.34
Rot. Bonds4

About [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (PubChem CID 6283919) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
PubChem CID6283919
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
SMILESCC1CC(C)CN(C(=O)COC(=O)/C=C/c2ccco2)C1
InChIInChI=1S/C16H21NO4/c1-12-8-13(2)10-17(9-12)15(18)11-21-16(19)6-5-14-4-3-7-20-14/h3-7,12-13H,8-11H2,1-2H3/b6-5+
InChIKeyOGPBVNUDWRMQHZ-AATRIKPKSA-N
XLogP2.34
TPSA59.75 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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2099363
[2-(cyclohexylamino)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2365694
[2-oxo-2-(propylamino)ethyl] (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 2477385
Furan-2-carboxylic acid 1-methyl-2-(4-methyl-piperidin-1-yl)-ethyl ester
CID 24792334
3,5-Dimethyl-1-[3-(5-methyl-2-furyl)acryloyl]piperidine
CID 5865129
Furan-2-carboxylic acid 1-cyclohexylcarbamoyl-2-methyl-propyl ester
CID 654589
(2-Oxo-2-pyrrolidin-1-ylethyl) furan-2-carboxylate
CID 2351711
[2-oxo-2-(propylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2421408
[2-oxo-2-(propan-2-ylamino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 2425269
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2646373
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 2999073

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate (CID 6283919) is [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is CC1CC(C)CN(C(=O)COC(=O)/C=C/c2ccco2)C1.
What is the InChIKey of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
The InChIKey is OGPBVNUDWRMQHZ-AATRIKPKSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12-8-13(2)10-17(9-12)15(18)11-21-16(19)6-5-14-4-3-7-20-14/h3-7,12-13H,8-11H2,1-2H3/b6-5+.
What are the key properties of [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate?
[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate has a molecular weight of 291.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 6283919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).