N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide

C26H27N3O3 — CID 75140857

IUPACN-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
SMILESO=C(C=Cc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C26H27N3O3/c30-25(13-12-20-7-2-1-3-8-20)28-21-14-16-29(17-15-21)24-11-5-4-10-23(24)26(31)27-19-22-9-6-18-32-22/h1-13,18,21H,14-17,19H2,(H,27,31)(H,28,30)
InChIKeyKRYDERRTRQCQKT-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.01
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide

N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide (PubChem CID 75140857) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
PubChem CID75140857
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC NameN-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
SMILESO=C(C=Cc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccco2)CC1
InChIInChI=1S/C26H27N3O3/c30-25(13-12-20-7-2-1-3-8-20)28-21-14-16-29(17-15-21)24-11-5-4-10-23(24)26(31)27-19-22-9-6-18-32-22/h1-13,18,21H,14-17,19H2,(H,27,31)(H,28,30)
InChIKeyKRYDERRTRQCQKT-UHFFFAOYSA-N
XLogP4.01
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140862
2-[4-(cyclopentanecarbonylamino)piperidin-1-yl]-N-(furan-2-ylmethyl)benzamide
CID 42847997
N-(furan-2-ylmethyl)-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 42848440
N-(furan-2-ylmethyl)-2-[4-[[(2S)-2-phenylbutanoyl]amino]piperidin-1-yl]benzamide
CID 93324043
N-(2-methylbutyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide
CID 75140863
(E)-N-[1-[2-(4-methylpiperidine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 42682841
N-[1-[2-(4-ethylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 75140869
N-(furan-2-ylmethyl)-2-[3-(4-methylphenyl)prop-2-enoylamino]benzamide
CID 5115759
N-benzyl-2-[4-(prop-2-enylcarbamoylamino)piperidin-1-yl]benzamide
CID 46038545
(E)-N-cyclopentyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9214535
(E)-N-cyclohexyl-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enamide
CID 9337836
N-[(4-fluorophenyl)methyl]-2-[4-[(2-phenylacetyl)amino]piperidin-1-yl]benzamide
CID 46037582

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide (CID 75140857) is N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide is O=C(C=Cc1ccccc1)NC1CCN(c2ccccc2C(=O)NCc2ccco2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
The InChIKey is KRYDERRTRQCQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c30-25(13-12-20-7-2-1-3-8-20)28-21-14-16-29(17-15-21)24-11-5-4-10-23(24)26(31)27-19-22-9-6-18-32-22/h1-13,18,21H,14-17,19H2,(H,27,31)(H,28,30).
What are the key properties of N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide?
N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide has a molecular weight of 429.52 g/mol, XLogP of 4.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[4-(3-phenylprop-2-enoylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 75140857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).