3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide

C13H18N2O2 — CID 76923291

IUPAC3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC1CCNCC1
InChIInChI=1S/C13H18N2O2/c16-13(4-3-12-2-1-9-17-12)15-10-11-5-7-14-8-6-11/h1-4,9,11,14H,5-8,10H2,(H,15,16)
InChIKeyYWSBSLDUTSORBX-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.41
Rot. Bonds4

About 3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide

3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide (PubChem CID 76923291) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
PubChem CID76923291
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC1CCNCC1
InChIInChI=1S/C13H18N2O2/c16-13(4-3-12-2-1-9-17-12)15-10-11-5-7-14-8-6-11/h1-4,9,11,14H,5-8,10H2,(H,15,16)
InChIKeyYWSBSLDUTSORBX-UHFFFAOYSA-N
XLogP1.41
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide (CID 76923291) is 3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide is O=C(C=Cc1ccco1)NCC1CCNCC1.
What is the InChIKey of 3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide?
The InChIKey is YWSBSLDUTSORBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-13(4-3-12-2-1-9-17-12)15-10-11-5-7-14-8-6-11/h1-4,9,11,14H,5-8,10H2,(H,15,16).
What are the key properties of 3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide?
3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide has a molecular weight of 234.30 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide is sourced from PubChem (CID 76923291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).