N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C23H25F3N2O3 — CID 91939598

IUPACN-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NCC1CCN(C(=O)C=Cc2ccco2)CC1
InChIInChI=1S/C23H25F3N2O3/c24-23(25,26)19-6-3-17(4-7-19)5-9-21(29)27-16-18-11-13-28(14-12-18)22(30)10-8-20-2-1-15-31-20/h1-4,6-8,10,15,18H,5,9,11-14,16H2,(H,27,29)
InChIKeyGCSBCSAXQQRSAU-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.30
Rot. Bonds7

About N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 91939598) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID91939598
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC NameN-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NCC1CCN(C(=O)C=Cc2ccco2)CC1
InChIInChI=1S/C23H25F3N2O3/c24-23(25,26)19-6-3-17(4-7-19)5-9-21(29)27-16-18-11-13-28(14-12-18)22(30)10-8-20-2-1-15-31-20/h1-4,6-8,10,15,18H,5,9,11-14,16H2,(H,27,29)
InChIKeyGCSBCSAXQQRSAU-UHFFFAOYSA-N
XLogP4.30
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-bromophenyl)-N-[[1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]propanamide
CID 71806853
N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-phenylsulfanylpropanamide
CID 71961558
N-[[1-[(E)-3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-4-(trifluoromethoxy)benzamide
CID 71796797
N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 71961640
3-(furan-2-yl)-1-[4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 171136537
2-[1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]acetic acid
CID 77104443
(E)-3-(furan-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]prop-2-en-1-one
CID 1292610
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
(E)-3-(furan-2-yl)-1-[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]azetidin-1-yl]prop-2-en-1-one
CID 122247415
3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 76923291
(E)-3-(furan-2-yl)-1-[3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 81469240
(E)-3-(furan-2-yl)-1-(4-methylsulfonylpiperidin-1-yl)prop-2-en-1-one
CID 71805643

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 91939598) is N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)NCC1CCN(C(=O)C=Cc2ccco2)CC1.
What is the InChIKey of N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GCSBCSAXQQRSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c24-23(25,26)19-6-3-17(4-7-19)5-9-21(29)27-16-18-11-13-28(14-12-18)22(30)10-8-20-2-1-15-31-20/h1-4,6-8,10,15,18H,5,9,11-14,16H2,(H,27,29).
What are the key properties of N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 434.46 g/mol, XLogP of 4.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(furan-2-yl)prop-2-enoyl]piperidin-4-yl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 91939598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).