1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide

C22H28N2O3 — CID 131895344

IUPAC1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
SMILESO=C(C1CCCN(Cc2ccco2)C1)N(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C22H28N2O3/c25-15-14-24(13-4-9-19-7-2-1-3-8-19)22(26)20-10-5-12-23(17-20)18-21-11-6-16-27-21/h1-4,6-9,11,16,20,25H,5,10,12-15,17-18H2/b9-4+
InChIKeyUPXAUTOGEZPVJG-RUDMXATFSA-N
MW368.48 g/mol
LogP3.03
Rot. Bonds8

About 1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide

1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide (PubChem CID 131895344) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
PubChem CID131895344
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide
SMILESO=C(C1CCCN(Cc2ccco2)C1)N(C/C=C/c1ccccc1)CCO
InChIInChI=1S/C22H28N2O3/c25-15-14-24(13-4-9-19-7-2-1-3-8-19)22(26)20-10-5-12-23(17-20)18-21-11-6-16-27-21/h1-4,6-9,11,16,20,25H,5,10,12-15,17-18H2/b9-4+
InChIKeyUPXAUTOGEZPVJG-RUDMXATFSA-N
XLogP3.03
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
(3S)-1-cyclohexyl-N-(furan-2-ylmethyl)-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 95119803
1-(furan-2-ylmethyl)-N-methyl-N-(thian-4-yl)piperidine-3-carboxamide
CID 72881872
1-benzyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 43921227
(3R)-1-(furan-2-ylmethyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]piperidine-3-carboxamide
CID 99940335
(3S)-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97269175
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 97281855
(3S)-1-(furan-2-ylmethyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 97192941
cis-(1R,3S)-3-amino-N-(3-hydroxypropyl)-N-[(E)-3-phenylprop-2-enyl]cyclopentane-1-carboxamide
CID 133119161
N,N-bis(furan-2-ylmethyl)-1-(oxan-4-yl)piperidine-3-carboxamide
CID 74247687
N,1-bis(furan-2-ylmethyl)-N-prop-2-enylpiperidine-4-carboxamide
CID 50974230
1-[[4-(furan-2-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]methyl]piperidine-3-carboxamide
CID 126462596

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The IUPAC name of 1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide (CID 131895344) is 1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide is O=C(C1CCCN(Cc2ccco2)C1)N(C/C=C/c1ccccc1)CCO.
What is the InChIKey of 1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
The InChIKey is UPXAUTOGEZPVJG-RUDMXATFSA-N. The full InChI is InChI=1S/C22H28N2O3/c25-15-14-24(13-4-9-19-7-2-1-3-8-19)22(26)20-10-5-12-23(17-20)18-21-11-6-16-27-21/h1-4,6-9,11,16,20,25H,5,10,12-15,17-18H2/b9-4+.
What are the key properties of 1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide?
1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-N-(2-hydroxyethyl)-N-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxamide is sourced from PubChem (CID 131895344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).