(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide

C22H26N2O3 — CID 51336080

IUPAC(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H26N2O3/c25-22(9-7-17-6-8-20-18(15-17)10-14-27-20)23-16-19(21-5-4-13-26-21)24-11-2-1-3-12-24/h4-9,13,15,19H,1-3,10-12,14,16H2,(H,23,25)/b9-7+
InChIKeyHBIAAROONFAOPB-VQHVLOKHSA-N
MW366.46 g/mol
LogP3.57
Rot. Bonds6

About (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide (PubChem CID 51336080) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide
PubChem CID51336080
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc2c(c1)CCO2)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C22H26N2O3/c25-22(9-7-17-6-8-20-18(15-17)10-14-27-20)23-16-19(21-5-4-13-26-21)24-11-2-1-3-12-24/h4-9,13,15,19H,1-3,10-12,14,16H2,(H,23,25)/b9-7+
InChIKeyHBIAAROONFAOPB-VQHVLOKHSA-N
XLogP3.57
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methoxyphenyl)prop-2-enamide
CID 51162669
(E)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 7972754
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 42939291
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 42889429
(E)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 51162670
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]prop-2-enamide
CID 33319684
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-thiophen-2-ylethyl)prop-2-enamide
CID 51298671
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 34669940
(E)-3-(5-bromo-2-methoxyphenyl)-N-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide
CID 37226287
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 51291063
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 4780259
(E)-3-(2-chlorophenyl)-N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]prop-2-enamide
CID 124760652

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide (CID 51336080) is (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide is O=C(/C=C/c1ccc2c(c1)CCO2)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide?
The InChIKey is HBIAAROONFAOPB-VQHVLOKHSA-N. The full InChI is InChI=1S/C22H26N2O3/c25-22(9-7-17-6-8-20-18(15-17)10-14-27-20)23-16-19(21-5-4-13-26-21)24-11-2-1-3-12-24/h4-9,13,15,19H,1-3,10-12,14,16H2,(H,23,25)/b9-7+.
What are the key properties of (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide?
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide has a molecular weight of 366.46 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]prop-2-enamide is sourced from PubChem (CID 51336080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).