(E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide

C13H15N3O2 — CID 798024

IUPAC(E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCCCC2)o1)C(N)=O
InChIInChI=1S/C13H15N3O2/c14-9-10(13(15)17)8-11-4-5-12(18-11)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,15,17)/b10-8+
InChIKeyXMPSZTZMDNFAKA-CSKARUKUSA-N
MW245.28 g/mol
LogP1.66
Rot. Bonds3

About (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide

(E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide (PubChem CID 798024) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
PubChem CID798024
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C\c1ccc(N2CCCCC2)o1)C(N)=O
InChIInChI=1S/C13H15N3O2/c14-9-10(13(15)17)8-11-4-5-12(18-11)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,15,17)/b10-8+
InChIKeyXMPSZTZMDNFAKA-CSKARUKUSA-N
XLogP1.66
TPSA83.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_B(2)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide (CID 798024) is (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide is N#C/C(=C\c1ccc(N2CCCCC2)o1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The InChIKey is XMPSZTZMDNFAKA-CSKARUKUSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-9-10(13(15)17)8-11-4-5-12(18-11)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2,(H2,15,17)/b10-8+.
What are the key properties of (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
(E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide has a molecular weight of 245.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 798024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).