(E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide

C24H31N3O3 — CID 10070099

IUPAC(E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide
SMILESCC1CCCCN1CCCNC(=O)/C(=C\c1ccco1)NC(=O)Cc1ccccc1
InChIInChI=1S/C24H31N3O3/c1-19-9-5-6-14-27(19)15-8-13-25-24(29)22(18-21-12-7-16-30-21)26-23(28)17-20-10-3-2-4-11-20/h2-4,7,10-12,16,18-19H,5-6,8-9,13-15,17H2,1H3,(H,25,29)(H,26,28)/b22-18+
InChIKeyVPHPMWJXAATLRG-RELWKKBWSA-N
MW409.53 g/mol
LogP3.36
Rot. Bonds9

About (E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide

(E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide (PubChem CID 10070099) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide
PubChem CID10070099
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name(E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide
SMILESCC1CCCCN1CCCNC(=O)/C(=C\c1ccco1)NC(=O)Cc1ccccc1
InChIInChI=1S/C24H31N3O3/c1-19-9-5-6-14-27(19)15-8-13-25-24(29)22(18-21-12-7-16-30-21)26-23(28)17-20-10-3-2-4-11-20/h2-4,7,10-12,16,18-19H,5-6,8-9,13-15,17H2,1H3,(H,25,29)(H,26,28)/b22-18+
InChIKeyVPHPMWJXAATLRG-RELWKKBWSA-N
XLogP3.36
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-acetamido-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-phenylprop-2-enamide
CID 9472917
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[(Z)-1-(furan-2-yl)-3-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propylamino]-3-oxoprop-1-en-2-yl]benzamide
CID 100566249
1-benzyl-2-methyl-3-[4-(2-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110952785
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]benzamide
CID 86942198
N-[2-[3-(2-methylpiperidin-1-yl)propylamino]-2-oxoethyl]benzamide
CID 85018800
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135998
1-(2-hydroxy-2-phenylpropyl)-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 111334587
N-[(Z)-1-(furan-2-yl)-3-oxo-3-(3-phenylpropylamino)prop-1-en-2-yl]-4-methylbenzamide
CID 100746621
3-(2-methylpiperidin-1-yl)propyl furan-2-carboxylate;hydrochloride
CID 3050997
N-[1-(furan-2-yl)-3-(3-methoxypropylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2873413

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide (CID 10070099) is (E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide is CC1CCCCN1CCCNC(=O)/C(=C\c1ccco1)NC(=O)Cc1ccccc1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide?
The InChIKey is VPHPMWJXAATLRG-RELWKKBWSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-19-9-5-6-14-27(19)15-8-13-25-24(29)22(18-21-12-7-16-30-21)26-23(28)17-20-10-3-2-4-11-20/h2-4,7,10-12,16,18-19H,5-6,8-9,13-15,17H2,1H3,(H,25,29)(H,26,28)/b22-18+.
What are the key properties of (E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide has a molecular weight of 409.53 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-2-[(2-phenylacetyl)amino]prop-2-enamide is sourced from PubChem (CID 10070099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).