2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide

C16H22F2N2O2 — CID 95219305

IUPAC2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide
SMILESO=C(NCC[C@H]1CCCN(C/C=C/c2ccco2)C1)C(F)F
InChIInChI=1S/C16H22F2N2O2/c17-15(18)16(21)19-8-7-13-4-1-9-20(12-13)10-2-5-14-6-3-11-22-14/h2-3,5-6,11,13,15H,1,4,7-10,12H2,(H,19,21)/b5-2+/t13-/m1/s1
InChIKeyJQIKIYSPIOEABP-ADQTWTKMSA-N
MW312.36 g/mol
LogP2.78
Rot. Bonds7

About 2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide

2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide (PubChem CID 95219305) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide
PubChem CID95219305
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide
SMILESO=C(NCC[C@H]1CCCN(C/C=C/c2ccco2)C1)C(F)F
InChIInChI=1S/C16H22F2N2O2/c17-15(18)16(21)19-8-7-13-4-1-9-20(12-13)10-2-5-14-6-3-11-22-14/h2-3,5-6,11,13,15H,1,4,7-10,12H2,(H,19,21)/b5-2+/t13-/m1/s1
InChIKeyJQIKIYSPIOEABP-ADQTWTKMSA-N
XLogP2.78
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]methyl]pyridine-4-carboxamide
CID 95191546
1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]-N-propan-2-yltriazole-4-carboxamide
CID 45232594
N-(2-cyclobutylethyl)-2,2-difluoroacetamide
CID 103516050
methyl 3-[(E)-3-(furan-2-yl)prop-2-enyl]-9-[(1-methylpiperidin-3-yl)methoxy]-7-oxo-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 45205916
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 95223631
N-(3,3-diphenylpropyl)-6-[(E)-3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 45253008
N-(3,3-diphenylpropyl)-6-[3-(furan-2-yl)prop-2-enyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 75102703
4-[2-[bis(4-fluorophenyl)methoxy]ethyl]-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidine
CID 11102187
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-3-hydroxybenzamide
CID 95226562
N-[2-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]ethyl]-4-methylthiadiazole-5-carboxamide
CID 95205126
2-[1-(3-phenylprop-2-enyl)piperidin-3-yl]acetic acid
CID 76954218
tert-butyl N-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]methyl]carbamate
CID 71632340

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide (CID 95219305) is 2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide is O=C(NCC[C@H]1CCCN(C/C=C/c2ccco2)C1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide?
The InChIKey is JQIKIYSPIOEABP-ADQTWTKMSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c17-15(18)16(21)19-8-7-13-4-1-9-20(12-13)10-2-5-14-6-3-11-22-14/h2-3,5-6,11,13,15H,1,4,7-10,12H2,(H,19,21)/b5-2+/t13-/m1/s1.
What are the key properties of 2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide?
2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide has a molecular weight of 312.36 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-[(3R)-1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-3-yl]ethyl]acetamide is sourced from PubChem (CID 95219305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).