(5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one

C18H22FN3O — CID 155746978

IUPAC(5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one
SMILESC/C(N)=C1C(=N/C2CCCC2)/NC(=O)CC/1c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O/c1-11(20)17-15(12-6-8-13(19)9-7-12)10-16(23)22-18(17)21-14-4-2-3-5-14/h6-9,14-15H,2-5,10,20H2,1H3,(H,21,22,23)/b17-11-
InChIKeyUDCVOAGIBWGNSL-BOPFTXTBSA-N
MW315.39 g/mol
LogP3.00
Rot. Bonds2

About (5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one

(5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one (PubChem CID 155746978) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is (5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one.

Molecular Properties

Compound Name(5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one
PubChem CID155746978
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name(5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one
SMILESC/C(N)=C1C(=N/C2CCCC2)/NC(=O)CC/1c1ccc(F)cc1
InChIInChI=1S/C18H22FN3O/c1-11(20)17-15(12-6-8-13(19)9-7-12)10-16(23)22-18(17)21-14-4-2-3-5-14/h6-9,14-15H,2-5,10,20H2,1H3,(H,21,22,23)/b17-11-
InChIKeyUDCVOAGIBWGNSL-BOPFTXTBSA-N
XLogP3.00
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one?
The IUPAC name of (5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one (CID 155746978) is (5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one.
What is the SMILES notation for (5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one?
The canonical SMILES for (5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one is C/C(N)=C1C(=N/C2CCCC2)/NC(=O)CC/1c1ccc(F)cc1.
What is the InChIKey of (5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one?
The InChIKey is UDCVOAGIBWGNSL-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-11(20)17-15(12-6-8-13(19)9-7-12)10-16(23)22-18(17)21-14-4-2-3-5-14/h6-9,14-15H,2-5,10,20H2,1H3,(H,21,22,23)/b17-11-.
What are the key properties of (5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one?
(5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one has a molecular weight of 315.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1-aminoethylidene)-6-cyclopentylimino-4-(4-fluorophenyl)piperidin-2-one is sourced from PubChem (CID 155746978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).