N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide

C23H26N2O2 — CID 55645166

IUPACN-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)CCO2)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H26N2O2/c26-23(11-9-18-8-10-22-20(15-18)12-14-27-22)24-21-7-4-13-25(17-21)16-19-5-2-1-3-6-19/h1-3,5-6,8-11,15,21H,4,7,12-14,16-17H2,(H,24,26)
InChIKeyOISLMHXRIDMNJY-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.42
Rot. Bonds5

About N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide

N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide (PubChem CID 55645166) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
PubChem CID55645166
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide
SMILESO=C(C=Cc1ccc2c(c1)CCO2)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C23H26N2O2/c26-23(11-9-18-8-10-22-20(15-18)12-14-27-22)24-21-7-4-13-25(17-21)16-19-5-2-1-3-6-19/h1-3,5-6,8-11,15,21H,4,7,12-14,16-17H2,(H,24,26)
InChIKeyOISLMHXRIDMNJY-UHFFFAOYSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.42
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

(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(3-methylcyclopentyl)prop-2-enamide
CID 114549802
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]prop-2-enamide
CID 35211768
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]acetamide
CID 171130329
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-phenylprop-2-enamide
CID 17460201
N-(1-benzylpiperidin-3-yl)-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86945147
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
(E)-3-[6-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide;dihydrochloride
CID 87637103
(E)-N-(1-benzylpyrrolidin-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 17452538
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(1-phenylcyclobutyl)methyl]prop-2-enamide
CID 24614598
3-[6-[[(3R)-1-benzylpiperidin-3-yl]amino]-3-pyridinyl]prop-2-enoic acid
CID 68962344
(E)-N-cyclopentyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 26697363

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide (CID 55645166) is N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide is O=C(C=Cc1ccc2c(c1)CCO2)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide?
The InChIKey is OISLMHXRIDMNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-23(11-9-18-8-10-22-20(15-18)12-14-27-22)24-21-7-4-13-25(17-21)16-19-5-2-1-3-6-19/h1-3,5-6,8-11,15,21H,4,7,12-14,16-17H2,(H,24,26).
What are the key properties of N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide?
N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide has a molecular weight of 362.47 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enamide is sourced from PubChem (CID 55645166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).