(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide

C19H18ClN3O2 — CID 5337303

IUPAC(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c20-15-4-6-16(7-5-15)22-19(24)14(13-21)12-17-8-9-18(25-17)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2,(H,22,24)/b14-12-
InChIKeyQDGQTXBPNSQZQV-OWBHPGMISA-N
MW355.83 g/mol
LogP4.47
Rot. Bonds4

About (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide

(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide (PubChem CID 5337303) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
PubChem CID5337303
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide
SMILESN#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O2/c20-15-4-6-16(7-5-15)22-19(24)14(13-21)12-17-8-9-18(25-17)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2,(H,22,24)/b14-12-
InChIKeyQDGQTXBPNSQZQV-OWBHPGMISA-N
XLogP4.47
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.47
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 (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide (CID 5337303) is (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide is N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
The InChIKey is QDGQTXBPNSQZQV-OWBHPGMISA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-15-4-6-16(7-5-15)22-19(24)14(13-21)12-17-8-9-18(25-17)23-10-2-1-3-11-23/h4-9,12H,1-3,10-11H2,(H,22,24)/b14-12-.
What are the key properties of (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide?
(Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide has a molecular weight of 355.83 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-chlorophenyl)-2-cyano-3-(5-piperidin-1-ylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 5337303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).